Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9654095

Cl.NC(C1=NCCN1)c1cccc(OC(F)C(F)(F)F)c1Cl

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A known ✓ P08913 18/20 0.42
▸ ADRA2B known ✓ P18089 18/20 0.42
▸ ADRA2C known ✓ P18825 18/20 0.42
▸ HTR1A known ✓ P08908 3/20 0.42
▸ SLC6A4 known ✓ P31645 1/20 0.42
▸ ADRA1A known ✓ P35348 1/20 0.42
▸ OPRK1 known ✓ P41145 1/20 0.42
▸ KCNH2 known ✓ Q12809 1/20 0.42
▸ MAOA known ✓ P21397 1/20 0.36
▸ MAOB known ✓ P27338 1/20 0.36
▸ NISCH Q9Y2I1 4/20 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 SCHEMBL9654088 0.85 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654147 0.77 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9655963 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654920 0.74 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654089 0.74 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654745 0.72 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654964 0.71 ADRA2A (0.35) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3667267 0.70 ADRA2A (0.46) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9654121 0.70 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL9652261 0.70 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR1ASLC6A4

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
US-5128361-A IMIDAZOLINE DERIVATIVES FOR SYSTEMIC COMBATING OF ECTOPARASITES IN HOST ANIMALS HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 — — US disclosed
EP-0374757-A1 Agents containing imidazoline derivatives for the control, based on the host animal system, of ectoparasites, and these imidazolines derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 — — EP disclosed
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