Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1503025

Cn1c2c(n(CC(C)(C)C)c1=O)=CC=C(N1CCCC(CNc3cc(C#N)ccn3)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 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.37
USP30 Q70CQ3 3/20 0.36
GRM2 Q14416 2/20 0.36
LRRK2 Q5S007 1/20 0.33
VNN1 O95497 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MAP3K12 Q12852 1/20 0.32

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 SCHEMBL1503103 0.85 DPP4 (0.37) DPP4USP30
Hydrochloric Acid SCHEMBL1502914 0.84 GRM2 (0.33) GRM2
Hydrochloric Acid SCHEMBL1503024 0.78 GRM2 (0.54) DPP4GRM2
Hydrochloric Acid SCHEMBL1502998 0.76 ACKR3 (0.34) USP30GRM2
Hydrochloric Acid SCHEMBL1503180 0.75 PPARA (0.32) GRM2
Hydrochloric Acid SCHEMBL1502948 0.74 GRM2 (0.37) USP30GRM2
Hydrochloric Acid SCHEMBL1503007 0.70
SCHEMBL1502985 0.69 GRM2 (0.53) DPP4GRM2
SCHEMBL6891799 0.68 GRM2 (0.56) GRM2
SCHEMBL24493087 0.66 EGLN2 (0.56) USP30VNN1EGLN2HRH4

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