Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9152306

CCOC(=O)C(C(=O)OCC)C(=O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](N)C3)c(F)cc2c1=O.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
OPRM1 known ✓ P35372 2/20 0.70
CHRM2 known ✓ P08172 1/20 0.70
CHRM1 known ✓ P11229 1/20 0.70
OPRD1 known ✓ P41143 1/20 0.70
KCNH2 known ✓ Q12809 6/20 0.51
TOP1 known ✓ P11387 2/20 0.44
PRKD3 known ✓ O94806 1/20 0.43
ADRB2 known ✓ P07550 1/20 0.42
TOP2A known ✓ P11388 1/20 0.41
TOP2B known ✓ Q02880 1/20 0.41
ALDH1A1 P00352 2/20 0.70
POLB P06746 2/20 0.70
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK2 P49760 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.41

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 SCHEMBL9155640 1.00 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9153928 1.00 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9243120 0.93 ALDH1A1 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9154708 0.93 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9151736 0.90 ALDH1A1 (0.65) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9153885 0.90 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9156062 0.90 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9155334 0.90 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL27374207 0.89 ALDH1A1 (0.76) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9159627 0.87 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US claimed
CN-1080920-A Novel uqinoline derivatives and preparation method thereof KOREA RES INST CHEM TECH (KR) 1994-01-19 CN claimed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO claimed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP claimed
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US disclosed
CN-1080920-A Novel uqinoline derivatives and preparation method thereof KOREA RES INST CHEM TECH (KR) 1994-01-19 CN disclosed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO disclosed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP disclosed