Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7423801

Cl.Cl.S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.70

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
CHRM5 known ✓ P08912 1/20 0.49
ADRA2A known ✓ P08913 1/20 0.49
CHRM1 known ✓ P11229 1/20 0.49
ADRA2B known ✓ P18089 1/20 0.49
ADRA2C known ✓ P18825 1/20 0.49
DRD1 known ✓ P21728 1/20 0.49
SLC6A2 known ✓ P23975 1/20 0.49
ADRA1D known ✓ P25100 1/20 0.49
HTR1B known ✓ P28222 1/20 0.49
HTR2A known ✓ P28223 1/20 0.49
HTR2C known ✓ P28335 1/20 0.49
AGTR1 known ✓ P30556 1/20 0.49
SLC6A4 known ✓ P31645 1/20 0.49
HTR7 known ✓ P34969 1/20 0.49
ADRA1A known ✓ P35348 1/20 0.49
HRH1 known ✓ P35367 1/20 0.49
ADRA1B known ✓ P35368 1/20 0.49
DRD3 known ✓ P35462 1/20 0.49
OPRK1 known ✓ P41145 1/20 0.49
HTR5A known ✓ P47898 1/20 0.49

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
SCHEMBL7421016 0.99 SSTR4 (0.71) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7476252 0.87 SSTR4 (0.61) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7429330 0.86 SSTR4 (0.56) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7422102 0.82 SSTR4 (0.76) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7425273 0.81 SSTR4 (0.47) SSTR4SSTR2GBA1RAD52MEN1
Dimethylamine SCHEMBL7422105 0.80 SSTR4 (0.74) SSTR4SSTR2GBA1RAD52
SCHEMBL6035414 0.80 SSTR4 (0.75) SSTR4SSTR2GBA1RAD52MEN1
Hydrochloric Acid SCHEMBL7483543 0.78 GBA1 (0.44) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7426650 0.78 SSTR4 (0.66) SSTR4SSTR2GBA1RAD52MEN1
SCHEMBL7421644 0.78 SSTR4 (0.75) SSTR4SSTR2GBA1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019050-B1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK AS (DK) 2002-03-20 EP disclosed
US-6159941-A Use of somatostatin agonists and antagonists for treating diseases related to the eye NOVO NORDISK A/S (DK) 2000-12-12 US disclosed
US-6127343-A SELECTIVE, COMPETITIVE SOMATOSTATIN RECEPTOR LIGANDS OF NONPEPTIDE ORIGIN, FOR MEDIATING THE BIOLOGICAL EFFECT OF SOMATOSTATIN AGONISTS OR ANTAGONIST NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-1019050-A1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK A/S (DK) 2000-07-19 EP disclosed
EP-0912551-A1 SOMATOSTATIN AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 1999-05-06 EP disclosed
WO-1998058646-A1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK A/S (DK) 1998-12-30 WO disclosed
WO-1997043278-A1 SOMATOSTATIN AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 1997-11-20 WO disclosed