Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8692152

Cl.Cl.c1ccc2nc(NCCCN3CCOCC3)ccc2c1

nearest known ligand 0.62

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 20)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 1/20 0.62
GAA known ✓ P10253 1/20 0.62
HTR1A known ✓ P08908 5/20 0.59
DRD2 known ✓ P14416 3/20 0.55
ADRA1A known ✓ P35348 3/20 0.55
DRD3 known ✓ P35462 3/20 0.55
KCNH2 known ✓ Q12809 1/20 0.55
HRH3 known ✓ Q9Y5N1 1/20 0.51
NPSR1 Q6W5P4 2/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
RAD52 P43351 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
HRH4 Q9H3N8 1/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL8695046 0.99 NPSR1 (0.63) NPSR1POLBKDM4ENPC1LMNA
Bromide SCHEMBL7207014 0.82 DRD2 (0.67) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL789397 0.81 EGFR (0.51) NPSR1POLBKDM4ENPC1LMNA
Bromide SCHEMBL7210662 0.81 HTR1A (0.64) NPC1RAB9AHTR1ADRD2ADRA1A
SCHEMBL491679 0.81 HTR1A (0.64) HTR1ADRD2ADRA1ADRD3KCNH2
Hydrochloric Acid SCHEMBL8697332 0.79 KDM4E (0.64) NPSR1POLBKDM4ENPC1LMNA
SCHEMBL7210679 0.78 HTR1A (0.66) NPC1RAB9AHTR1ADRD2ADRA1A
SCHEMBL8694610 0.78 KDM4E (0.67) NPSR1POLBKDM4ENPC1LMNA
SCHEMBL28309631 0.78 HTR1A (0.62) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL8694671 0.77 KDM4E (0.65) NPSR1POLBKDM4ENPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770734-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-23 US disclosed
US-5149815-A Anticholirergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
US-5093333-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-03 US disclosed