SCHEMBL7841845

SCHEMBL7841845

Cc1ncc(CN2CCC(CO)(Cc3ccc4ccccc4n3)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.51
FNTB P49356 4/20 0.51
PGGT1B P53609 4/20 0.51
ALOX5AP P20292 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
AKT1 P31749 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7839728 0.87 FNTA (0.51) FNTAFNTBPGGT1BGAALMNA
SCHEMBL8438533 0.87 FNTA (0.38) FNTAFNTBPGGT1BALOX5APGAA
SCHEMBL7837837 0.87 FNTA (0.50) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7856913 0.86 FNTA (0.61) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839572 0.86 FNTA (0.55) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839733 0.83 FNTA (0.55) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7838097 0.83 FNTA (0.55) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7840054 0.82 FNTA (0.49) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839131 0.82 FNTA (0.51) FNTAFNTBPGGT1BGAALMNA
SCHEMBL29372490 0.82 FNTA (0.48) FNTAFNTBPGGT1BGAALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed