SCHEMBL7713339

SCHEMBL7713339

CCCCC[C@H]1CC[C@H](C(=O)N2CCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.56
FNTB P49356 20/20 0.56
PGGT1B P53609 16/20 0.56

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
SCHEMBL7713343 1.00 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7683462 0.83 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7682385 0.82 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7680332 0.82 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7687123 0.82 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7684988 0.82 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7665146 0.79 FNTA (0.73) FNTAFNTBPGGT1B
SCHEMBL7592794 0.78 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL7680621 0.78 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL7685251 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US claimed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US disclosed