Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6849321

C[C@@H](N)Cc1ccc([N+](=O)[O-])cc1.Cl

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 4/20 0.50
SLC6A3 known ✓ Q01959 2/20 0.50
MAOA known ✓ P21397 1/20 0.48
SLC6A4 known ✓ P31645 1/20 0.48
SIGMAR1 known ✓ Q99720 1/20 0.48
KCNH2 known ✓ Q12809 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.60
IDO1 P14902 3/20 0.53
TAAR1 Q96RJ0 5/20 0.50
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
KCNJ1 P48048 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6849318 1.00 LOXL2 (0.60) LOXL2IDO1TAAR1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL9116903 1.00 LOXL2 (0.60) LOXL2IDO1TAAR1SLC6A2SLC6A3
SCHEMBL8986807 0.98 LOXL2 (0.62) LOXL2IDO1TAAR1SLC6A2SLC6A3
SCHEMBL5264530 0.98 LOXL2 (0.62) LOXL2IDO1TAAR1SLC6A2SLC6A3
SCHEMBL11601065 0.98 LOXL2 (0.62) LOXL2IDO1TAAR1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL9194807 0.93 ALDH1A1 (0.58) LOXL2IDO1TAAR1SLC6A2SLC6A3
SCHEMBL5715396 0.82 LOXL2 (0.55) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL16449786 0.82 KMT2A (0.49) LOXL2IDO1KCNJ1KCNH2MEN1
Hydrochloric Acid SCHEMBL1097639 0.81 LOXL2 (0.55) LOXL2IDO1MEN1KMT2A
Hydrochloric Acid SCHEMBL4625004 0.81 LOXL2 (0.44) LOXL2IDO1KCNJ1KCNH2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777190-B1 Crosstalk inhibitors and their uses BIOSITE, INC. 2004-08-17 US disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
EP-0579767-B1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INC (US) 2000-08-23 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
EP-0585310-B1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INC (US) 1999-03-17 EP disclosed
US-5851776-A Conjugates and assays for simultaneous detection of multiple ligands BIOSITE DIAGNOSTICS, INC. (US) 1998-12-22 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5470997-A Amphetamine derivatives and protein and polypeptide amphetamine derivative conjugates and labels BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-11-28 US disclosed
EP-0585310-A4 CROSSTALK INHIBITORS AND THEIR USES. BIOSITE DIAGNOSTICS INC (US) 1995-06-14 EP disclosed
EP-0579767-A4 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS. BIOSITE DIAGNOSTICS INC (US) 1995-05-17 EP disclosed
EP-0634999-A4 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS. 1995-02-01 EP disclosed
EP-0634999-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
EP-0585310-A1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1994-03-09 EP disclosed
EP-0579767-A1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INC. (US) 1994-01-26 EP disclosed
WO-1993020048-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 WO disclosed
WO-1992018868-A1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1992-10-29 WO disclosed
WO-1992018866-A1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INCORPORATED (US) 1992-10-29 WO disclosed