SCHEMBL7713147

SCHEMBL7713147

N#Cc1ccc(Cn2cncc2CC(=O)NCc2ccccc2-c2cccc(O)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.41
FNTB P49356 8/20 0.41
PGGT1B P53609 6/20 0.41
CACNA1H O95180 4/20 0.38

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
SCHEMBL7710615 0.88 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7710761 0.84 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL7721344 0.81 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL6436905 0.75 CYP11B1 (0.44) FNTAFNTBPGGT1BCACNA1H
SCHEMBL6452310 0.74 CYP11B1 (0.46) FNTAFNTBPGGT1BCACNA1H
Bromide SCHEMBL7629321 0.73 CYP11B1 (0.45) FNTAFNTBPGGT1BCACNA1H
SCHEMBL7704754 0.73 CYP11B1 (0.45) FNTAFNTBPGGT1BCACNA1H
SCHEMBL7704743 0.73 CYP11B1 (0.55) FNTAFNTBPGGT1BCACNA1H
SCHEMBL7711159 0.73 FNTA (0.37) FNTAFNTBPGGT1B
Lithium Ion SCHEMBL7704749 0.73 CYP11B2 (0.44) FNTAFNTBPGGT1BCACNA1H

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