SCHEMBL7717566

SCHEMBL7717566

N#Cc1ccc(Cn2cncc2CNC2CCN(c3cccc4ccc(O)cc34)C2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.50
FNTB P49356 16/20 0.50
PGGT1B P53609 8/20 0.50
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7717563 1.00 FNTA (0.50) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933897 0.84 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7716068 0.81 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7716070 0.81 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7718625 0.79 FNTA (0.60) FNTAFNTBPGGT1BKCNH2
SCHEMBL7719418 0.79 FNTA (0.60) FNTAFNTBPGGT1BKCNH2
SCHEMBL7714149 0.79 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714146 0.79 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7717551 0.78 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7717552 0.78 FNTA (0.46) 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