SCHEMBL7747202

SCHEMBL7747202

Cc1ccc(C(=O)N2CCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.62
FNTB P49356 20/20 0.62
PGGT1B P53609 19/20 0.62
KCNH2 Q12809 1/20 0.51

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
SCHEMBL7588726 0.92 FNTA (0.60) FNTAFNTBPGGT1BKCNH2
SCHEMBL7481000 0.90 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL7483644 0.90 FNTA (0.57) FNTAFNTBPGGT1BKCNH2
SCHEMBL7589813 0.89 FNTA (0.66) FNTAFNTBPGGT1B
SCHEMBL7590122 0.87 FNTA (0.57) FNTAFNTBPGGT1B
Bromide SCHEMBL7537925 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2
SCHEMBL7665146 0.82 FNTA (0.73) FNTAFNTBPGGT1B
SCHEMBL7585617 0.81 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7591131 0.79 FNTA (0.81) FNTAFNTBPGGT1B
SCHEMBL7589717 0.78 FNTA (0.61) FNTAFNTBPGGT1B

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-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed