SCHEMBL7933897

SCHEMBL7933897

N#Cc1ccc(Cn2cncc2CN[C@@H]2CCN(c3cccc4ccc(O)cc34)C2=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.57
FNTB P49356 18/20 0.57
KCNH2 Q12809 6/20 0.57
PGGT1B P53609 13/20 0.56
CYP3A4 P08684 1/20 0.49

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
SCHEMBL7717552 0.90 FNTA (0.46) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7717551 0.90 FNTA (0.46) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7718535 0.89 FNTA (0.44) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7718538 0.89 FNTA (0.44) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7717563 0.84 FNTA (0.50) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7717566 0.84 FNTA (0.50) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7718963 0.83 FNTA (0.66) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7718965 0.83 FNTA (0.66) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7935969 0.81 FNTA (0.63) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7721355 0.79 FNTA (0.52) FNTAFNTBKCNH2PGGT1BCYP3A4

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 claimed