Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1503103

Cn1c2c(n(CC(C)(C)C)c1=O)=CC=C(N1CCCC(CNc3ncccc3C#N)C1)[N+]=2.[Cl-]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.37
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HCRTR1 O43613 1/20 0.34
KCNH2 Q12809 1/20 0.34
BCL6 P41182 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SSTR4 P31391 1/20 0.34
CYP2D6 P10635 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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 SCHEMBL1502914 0.86 GRM2 (0.33) BCL6
Hydrochloric Acid SCHEMBL1503025 0.85 DPP4 (0.37) DPP4USP30
Hydrochloric Acid SCHEMBL1503100 0.79 GRM2 (0.52) DPP4
Hydrochloric Acid SCHEMBL1502998 0.74 ACKR3 (0.34) USP30BCL6
Hydrochloric Acid SCHEMBL1502948 0.74 GRM2 (0.37) USP30KCNH2
Hydrochloric Acid SCHEMBL1503180 0.73 PPARA (0.32) HRH3
Hydrochloric Acid SCHEMBL1503007 0.69
SCHEMBL6890782 0.68 GRM2 (0.55)
SCHEMBL1502985 0.65 GRM2 (0.53) DPP4
Hydrochloric Acid SCHEMBL1502913 0.64 GRM2 (0.60)

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
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO claimed