Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9844266

COC(=O)CCCCCN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.Cl

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
DRD3 known ✓ P35462 5/20 0.70
DRD2 known ✓ P14416 3/20 0.70
HRH1 known ✓ P35367 4/20 0.65
CHRM2 known ✓ P08172 3/20 0.65
ADRA2A known ✓ P08913 3/20 0.65
CHRM1 known ✓ P11229 3/20 0.65
ADRA2B known ✓ P18089 3/20 0.65
DRD1 known ✓ P21728 3/20 0.65
HTR2A known ✓ P28223 3/20 0.65
HTR2C known ✓ P28335 3/20 0.65
HTR3A known ✓ P46098 3/20 0.65
CHRM4 known ✓ P08173 2/20 0.65
CHRM5 known ✓ P08912 2/20 0.65
CHRM3 known ✓ P20309 2/20 0.65
HTR6 known ✓ P50406 2/20 0.65
ADRA2C known ✓ P18825 2/20 0.65
ADRA1D known ✓ P25100 2/20 0.65
ADRA1A known ✓ P35348 2/20 0.65
OPRK1 known ✓ P41145 2/20 0.65
HTR2B known ✓ P41595 2/20 0.65

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
SCHEMBL9844519 0.99 DRD3 (0.72) DRD3DRD2HRH1LMNACHRM2
Hydrochloric Acid SCHEMBL9844533 0.91 DRD3 (0.68) DRD3DRD2HRH1LMNACHRM2
SCHEMBL9844413 0.90 DRD3 (0.69) DRD3DRD2HRH1LMNACHRM2
Hydrochloric Acid SCHEMBL9844567 0.90 DRD3 (0.74) DRD3DRD2HRH1LMNACHRM2
SCHEMBL9844539 0.89 DRD3 (0.75) DRD3DRD2HRH1LMNACHRM2
Hydrochloric Acid SCHEMBL9844566 0.89 DRD3 (0.75) DRD3DRD2HRH1LMNACHRM2
Hydrochloric Acid SCHEMBL9791328 0.88 DRD3 (0.67) DRD3DRD2HRH1LMNACHRM2
SCHEMBL9844341 0.88 DRD3 (0.77) DRD3DRD2HRH1LMNACHRM2
SCHEMBL9844280 0.87 DRD3 (0.68) DRD3DRD2HRH1LMNACHRM2
Hydrochloric Acid SCHEMBL9844418 0.86 DRD3 (0.74) DRD3DRD2HRH1LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed