Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9030478

Cl.Cl.Cl.NC(=O)c1cc(Cl)c(NC(=O)CN2CCN(CCCCC(c3ccc(F)cc3)c3cccnc3)CC2)c(Cl)c1.O.O

nearest known ligand 0.56

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
HTR2A known ✓ P28223 6/20 0.53
DRD3 known ✓ P35462 6/20 0.53
OPRD1 known ✓ P41143 4/20 0.53
OPRK1 known ✓ P41145 4/20 0.53
SLC6A3 known ✓ Q01959 4/20 0.53
KCNH2 known ✓ Q12809 3/20 0.53
DRD2 known ✓ P14416 3/20 0.53
ADRA1A known ✓ P35348 3/20 0.53
HRH1 known ✓ P35367 3/20 0.53
SLC6A2 known ✓ P23975 2/20 0.53
SLC6A4 known ✓ P31645 2/20 0.53
HTR2B known ✓ P41595 2/20 0.53
ADRB1 known ✓ P08588 1/20 0.53
ADRA2A known ✓ P08913 1/20 0.53
ADRA2B known ✓ P18089 1/20 0.53
ADRA2C known ✓ P18825 1/20 0.53
CHRM3 known ✓ P20309 1/20 0.53
AGTR1 known ✓ P30556 1/20 0.53
GHSR known ✓ Q92847 1/20 0.53
DRD4 known ✓ P21917 5/20 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
Hydrochloric Acid SCHEMBL10459779 0.90 SLC29A1 (0.63) SLC29A1HTR2ADRD3OPRD1OPRK1
SCHEMBL10459776 0.89 SLC29A1 (0.65) SLC29A1HTR2ADRD3OPRD1OPRK1
Water SCHEMBL9362242 0.82 SLC29A1 (0.75) SLC29A1HTR2ADRD3OPRD1OPRK1
Hydrochloric Acid SCHEMBL7810744 0.82 SLC29A1 (0.75) SLC29A1HTR2ADRD3OPRD1OPRK1
Water SCHEMBL7526796 0.82 SLC29A1 (0.75) SLC29A1HTR2ADRD3OPRD1OPRK1
SCHEMBL7517455 0.81 SLC29A1 (0.76) SLC29A1HTR2ADRD3OPRD1OPRK1
Hydrochloric Acid SCHEMBL7705419 0.80 SLC29A1 (0.59) SLC29A1HTR2ADRD3OPRD1OPRK1
SCHEMBL9030901 0.80 SLC29A1 (0.64) SLC29A1HTR2ADRD3OPRD1OPRK1
Hydrochloric Acid SCHEMBL30720033 0.79 SLC29A1 (0.60) SLC29A1HTR2ADRD3OPRD1OPRK1
SCHEMBL7700344 0.78 SLC29A1 (0.61) SLC29A1HTR2ADRD3OPRD1OPRK1

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-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed