SCHEMBL7936020

SCHEMBL7936020

N#Cc1ccc(CCc2ncc(C=O)[nH]2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.49
TRPV4 Q9HBA0 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
BRS3 P32247 2/20 0.35
EP300 Q09472 2/20 0.34
S1PR3 Q99500 2/20 0.34
CACNA1H O95180 1/20 0.34
S1PR1 P21453 1/20 0.33
GPR52 Q9Y2T5 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
SCHEMBL6409770 0.90 DAO (0.43) DAOTRPV4CYP11B1CYP11B2S1PR3
SCHEMBL6417855 0.81 GPR52 (0.37) DAOCACNA1HS1PR1GPR52
SCHEMBL7715298 0.80 DAO (0.51) DAOTRPV4CYP11B1CYP11B2BRS3
SCHEMBL7454907 0.75 AR (0.39) KCNJ1KCNH2CACNA1H
SCHEMBL6688212 0.73 TYMP (0.45) DAOCYP11B1CYP11B2BRS3
SCHEMBL7715279 0.72 DAO (0.43) DAOTRPV4KCNJ1KCNH2CYP11B1
SCHEMBL7743907 0.72 DAO (0.47) DAOTRPV4CYP11B1CYP11B2GPR52
Hydrochloric Acid SCHEMBL7745910 0.71 DAO (0.46) DAOTRPV4CYP11B1CYP11B2GPR52
SCHEMBL6433917 0.71 DAO (0.46) DAOTRPV4CYP11B1CYP11B2BRS3
Hydrochloric Acid SCHEMBL6438009 0.70 DAO (0.45) DAOTRPV4CYP11B1CYP11B2BRS3

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed