SCHEMBL7718965

SCHEMBL7718965

N#Cc1ccc(Cn2cncc2CNC2CCN(Cc3cccc(O)c3)C2=O)cc1F

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.66
FNTB P49356 19/20 0.66
PGGT1B P53609 12/20 0.66
KCNH2 Q12809 3/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL7718963 1.00 FNTA (0.66) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7935969 0.95 FNTA (0.63) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7721344 0.89 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936718 0.88 FNTA (0.65) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933796 0.85 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7721347 0.85 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933799 0.85 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7721355 0.85 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714061 0.83 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714063 0.83 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4

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-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed