Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10345784

COc1cc2c(cc1S(N)(=O)=O)CCNCC2c1ccccc1.Cl

nearest known ligand 0.65

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
▸ DRD1 known ✓ P21728 16/20 0.65
▸ DRD2 known ✓ P14416 8/20 0.57
▸ GAA known ✓ P10253 1/20 0.57
▸ ADRA2C known ✓ P18825 1/20 0.55
▸ CA2 known ✓ P00918 1/20 0.46
▸ DRD5 P21918 6/20 0.65
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ BLM P54132 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ KDM4C Q9H3R0 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MAPT P10636 2/20 0.55
▸ ADCY6 O43306 1/20 0.55
▸ ADCY3 O60266 1/20 0.55
▸ ADCY9 O60503 1/20 0.55
▸ ADCY5 O95622 1/20 0.55
▸ ADCY8 P40145 1/20 0.55
▸ ADCY7 P51828 1/20 0.55
▸ ADCY2 Q08462 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
Hydrochloric Acid SCHEMBL10345385 0.96 DRD1 (0.69) DRD1DRD5DRD2HPGDKDM4E
Hydrochloric Acid SCHEMBL10794612 0.90 CA1 (0.58) DRD1DRD5DRD2HPGDKDM4E
SCHEMBL10746491 0.89 DRD1 (0.65) DRD1DRD5DRD2HPGDKDM4E
Hydrochloric Acid SCHEMBL10345648 0.87 DRD1 (0.60) DRD1DRD5DRD2HPGDKDM4E
Hydrochloric Acid SCHEMBL10345711 0.87 DRD1 (0.60) DRD1DRD5DRD2HPGDKDM4E
Bromide SCHEMBL10345676 0.85 DRD1 (0.60) DRD1DRD5DRD2HPGDKDM4E
SCHEMBL10345896 0.85 DRD1 (0.60) DRD1DRD5DRD2HPGDKDM4E
SCHEMBL10746233 0.84 DRD1 (0.68) DRD1DRD5DRD2HPGDKDM4E
Hydrochloric Acid SCHEMBL10747896 0.84 CA1 (0.56) DRD1DRD5DRD2HPGDKDM4E
SCHEMBL7320752 0.84 DRD1 (0.81) DRD1DRD5DRD2HPGDKDM4E

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
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 — — EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 — — US disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 — — EP disclosed
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