Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8804162

Cc1nc2ccccn2c(=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
▸ ACHE known ✓ P22303 1/20 0.57
▸ HTR2C known ✓ P28335 4/20 0.57
▸ HTR1A known ✓ P08908 3/20 0.57
▸ ADRA1A known ✓ P35348 8/20 0.45
▸ ADRA2A known ✓ P08913 8/20 0.45
▸ ADRA2B known ✓ P18089 8/20 0.45
▸ ADRA2C known ✓ P18825 8/20 0.45
▸ HTR2A known ✓ P28223 4/20 0.45
▸ DRD2 known ✓ P14416 2/20 0.45
▸ HRH1 known ✓ P35367 2/20 0.45
▸ SLC6A4 known ✓ P31645 2/20 0.38
▸ ADRB2 known ✓ P07550 1/20 0.38
▸ DRD1 known ✓ P21728 1/20 0.38
▸ DRD4 known ✓ P21917 1/20 0.38
▸ SLC6A2 known ✓ P23975 1/20 0.38
▸ HTR1B known ✓ P28222 1/20 0.38
▸ HTR1E known ✓ P28566 1/20 0.38
▸ HTR7 known ✓ P34969 1/20 0.38
▸ ADRA1B known ✓ P35368 1/20 0.38
▸ OPRM1 known ✓ P35372 1/20 0.38

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
SCHEMBL8805236 0.99 ACHE (0.58) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8803688 0.92 HTR1A (0.50) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8804187 0.89 HTR1A (0.48) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8802345 0.88 HTR2A (0.47) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8803166 0.86 ADRA1A (0.45) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8805327 0.86 ADRA2A (0.46) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8803937 0.85 HTR1A (0.42) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8803357 0.85 ADRA1A (0.45) ACHEHTR2CTSHRMAPTHTR1A
SCHEMBL8804496 0.84 ADRA2A (0.50) ACHEHTR2CTSHRMAPTHTR1A
Hydrochloric Acid SCHEMBL8807357 0.83 PKM (0.57) ACHEHTR2CTSHRMAPTHTR1A

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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