Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8807357

Cc1nc2sccn2c(=O)c1CCN1CC2CC(c3ccc(F)cc3)C2C1.Cl.Cl

nearest known ligand 0.57

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
▸ HTR1A known ✓ P08908 4/20 0.57
▸ HTR2C known ✓ P28335 3/20 0.57
▸ DRD2 known ✓ P14416 3/20 0.57
▸ HTR2A known ✓ P28223 3/20 0.57
▸ ADRA1A known ✓ P35348 2/20 0.57
▸ HRH1 known ✓ P35367 2/20 0.57
▸ ADRB2 known ✓ P07550 1/20 0.57
▸ ADRA2A known ✓ P08913 1/20 0.57
▸ ADRA2B known ✓ P18089 1/20 0.57
▸ ADRA2C known ✓ P18825 1/20 0.57
▸ DRD1 known ✓ P21728 1/20 0.57
▸ DRD4 known ✓ P21917 1/20 0.57
▸ SLC6A2 known ✓ P23975 1/20 0.57
▸ HTR1B known ✓ P28222 1/20 0.57
▸ HTR1E known ✓ P28566 1/20 0.57
▸ SLC6A4 known ✓ P31645 1/20 0.57
▸ HTR7 known ✓ P34969 1/20 0.57
▸ ADRA1B known ✓ P35368 1/20 0.57
▸ OPRM1 known ✓ P35372 1/20 0.57
▸ DRD3 known ✓ P35462 1/20 0.57

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
SCHEMBL8802868 0.99 PKM (0.58) PKMHTR1ACYP2D6MAPTTSHR
Maleic Acid SCHEMBL9140380 0.94 HTR1A (0.55) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8805781 0.90 MAPT (0.49) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL9136196 0.90 PKM (0.47) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8804592 0.90 PKM (0.47) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8805519 0.90 TDP1 (0.52) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL9142476 0.90 MAPT (0.47) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8805082 0.89 PKM (0.48) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8804387 0.89 PKM (0.51) PKMHTR1ACYP2D6MAPTTSHR
SCHEMBL8804186 0.89 PKM (0.46) PKMHTR1ACYP2D6MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647231-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1997-08-27 — — EP disclosed
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 — — US disclosed
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