Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6694818

CC(C)CCNN[C@H]1CC[C@@H](C(=O)Nc2ccncc2)CC1.Cl.Cl

nearest known ligand 0.58

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
▸ ROCK2 known ✓ O75116 4/20 0.58
▸ ROCK1 known ✓ Q13464 4/20 0.58
▸ PRKCE known ✓ Q02156 1/20 0.58
▸ PRKD3 known ✓ O94806 1/20 0.56
▸ PRKCQ known ✓ Q04759 1/20 0.56
▸ PRKCD known ✓ Q05655 1/20 0.56
▸ KCNH2 known ✓ Q12809 1/20 0.56
▸ GLA known ✓ P06280 1/20 0.50
▸ PKN2 Q16513 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ RPS6KA5 O75582 2/20 0.56
▸ LRRK2 Q5S007 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CHUK O15111 1/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ LTK P29376 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
Hydrochloric Acid SCHEMBL6241839 1.00 ROCK2 (0.58) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6694655 1.00 ROCK2 (0.58) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6690818 0.87 ROCK2 (0.55) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6698382 0.87 ROCK2 (0.55) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6243863 0.83 ROCK2 (0.51) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6258175 0.82 ROCK2 (0.69) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6695638 0.82 ROCK2 (0.69) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6697225 0.82 ROCK2 (0.69) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6693920 0.81 GLA (0.53) ROCK2ROCK1PKN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6269841 0.80 GLA (0.51) ROCK2ROCK1PKN2TP53CYP3A4

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-20040138272-A1 1,4-Substituted cyclohexane derivatives UNIVERSITE DE MONTREAL (CA) 2004-07-15 — — US claimed
US-20040138272-A1 1,4-Substituted cyclohexane derivatives UNIVERSITE DE MONTREAL (CA) 2004-07-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138272-A1 1,4-Substituted cyclohexane derivatives ROCK1, RAC1, KSR1 ROCK2 11/4885ROCK1 1/4885PRKCE 677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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