Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7683345

CCOC(=O)C1(C2NCCc3c2[nH]c2ccc(OC)cc32)CCC1.Cl

nearest known ligand 0.64

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
HTR2B known ✓ P41595 6/20 0.53
HTR7 known ✓ P34969 4/20 0.48
CHRM4 known ✓ P08173 2/20 0.48
DRD2 known ✓ P14416 2/20 0.48
HTR2C known ✓ P28335 8/20 0.46
HTR2A known ✓ P28223 7/20 0.46
HTR1A known ✓ P08908 2/20 0.44
DRD4 known ✓ P21917 2/20 0.44
HTR1D known ✓ P28221 2/20 0.44
HTR1B known ✓ P28222 2/20 0.44
HTR1E known ✓ P28566 2/20 0.44
HTR5A known ✓ P47898 2/20 0.44
HTR6 known ✓ P50406 2/20 0.44
DRD3 known ✓ P35462 1/20 0.44
HTR3A known ✓ P46098 1/20 0.44
SIGMAR1 known ✓ Q99720 1/20 0.44
SLC6A4 known ✓ P31645 1/20 0.44
KMT2A Q03164 2/20 0.64
MAPKAPK2 P49137 6/20 0.56
MAPKAPK5 Q8IW41 1/20 0.56

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
SCHEMBL7677105 0.99 KMT2A (0.62) KMT2AMAPKAPK2MAPKAPK5HTR2BALDH1A1
Hydrochloric Acid SCHEMBL7676819 0.98 KMT2A (0.64) KMT2AMAPKAPK2MAPKAPK5HTR2BALDH1A1
Hydrochloric Acid SCHEMBL7683373 0.91 MAPKAPK2 (0.61) KMT2AMAPKAPK2MAPKAPK5HTR2BALDH1A1
Hydrochloric Acid SCHEMBL7676907 0.90 KMT2A (0.49) KMT2AHTR2BMAPTSIRT1MEN1
Hydrochloric Acid SCHEMBL7673979 0.89 MAPKAPK2 (0.54) KMT2AMAPKAPK2MAPKAPK5HTR2BALDH1A1
SCHEMBL7673692 0.89 KMT2A (0.48) KMT2AMAPKAPK2MAPKAPK5HTR2BMAPT
Hydrochloric Acid SCHEMBL7683967 0.88 HTR2A (0.54) KMT2AMAPKAPK2HTR2BHTR7HTR2C
Hydrochloric Acid SCHEMBL7683795 0.88 KMT2A (0.56) KMT2AMAPKAPK2HTR2BMAPTSIRT1
SCHEMBL7675338 0.88 HTR2A (0.55) KMT2AMAPKAPK2HTR2CHTR2A
Hydrochloric Acid SCHEMBL7674244 0.87 MAPKAPK2 (0.47) KMT2AMAPKAPK2MAPKAPK5HTR2BALDH1A1

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
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed