SCHEMBL7704743

SCHEMBL7704743

COC(=O)Cc1cncn1Cc1ccc(C#N)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.55
CYP11B2 P19099 9/20 0.55
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
CACNA1H O95180 10/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43

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
SCHEMBL7713236 0.90 CYP11B1 (0.70) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6452310 0.87 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL7629321 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7704754 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
Lithium Ion SCHEMBL7704749 0.85 CYP11B2 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7163166 0.83 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL6409239 0.82 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086608 0.82 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6433915 0.82 CYP11B1 (0.64) CYP11B1CYP11B2CACNA1H
SCHEMBL7713297 0.81 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B

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
US-6358985-B1 ANTICANCER AGENT MERCK & CO., INC. 2002-03-19 US disclosed