Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10351660

CNS(=O)(=O)c1cc2c(cc1OC)CCNCC2.Cl

nearest known ligand 0.50

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 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C known ✓ P28335 12/20 0.50
▸ HTR2B known ✓ P41595 12/20 0.50
▸ HTR2A known ✓ P28223 9/20 0.50
▸ MAOA known ✓ P21397 1/20 0.37
▸ ALK known ✓ Q9UM73 1/20 0.36
▸ HTR6 known ✓ P50406 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PNMT P11086 1/20 0.43
▸ SLC2A1 P11166 1/20 0.37
▸ INSR P06213 1/20 0.36
▸ CA7 P43166 1/20 0.36

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 SCHEMBL10350486 0.83 HTR2C (0.54) HTR2CHTR2BHTR2APNMTMAOA
Hydrochloric Acid SCHEMBL10351671 0.82 HTR2A (0.57) HTR2CHTR2BHTR2APNMTMAOA
SCHEMBL10568117 0.81 HTR2C (0.56) HTR2CHTR2BHTR2APNMTCA7
Hydrochloric Acid SCHEMBL10350479 0.79 HTR2C (0.52) HTR2CHTR2BHTR2AMAOASLC2A1
Hydrochloric Acid SCHEMBL10350986 0.78 HTR2C (0.49) HTR2CHTR2BHTR2AMAOASLC2A1
SCHEMBL10350846 0.77 ADCY6 (0.53) HTR2CHTR2BHTR2APNMTHTR6
Hydrochloric Acid SCHEMBL4247274 0.77 HTR2A (0.71) HTR2CHTR2BHTR2AMAOA
Hydrochloric Acid SCHEMBL10345895 0.77 DRD1 (0.63) —
Hydrochloric Acid SCHEMBL10345648 0.77 DRD1 (0.60) —
Hydrochloric Acid SCHEMBL10345448 0.76 DRD1 (0.48) HTR2CHTR2BHTR2AL3MBTL1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229510-B1 SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 — — EP disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 — — US disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 — — EP disclosed
US-4659706-A Sulfinyl and sulfonyl substituted 3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1987-04-21 — — US disclosed
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