SCHEMBL7837837

SCHEMBL7837837

Cc1ncc(CN2CCC(CO)(Cc3cccc(O)n3)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.50
FNTB P49356 4/20 0.50
PGGT1B P53609 4/20 0.50
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.92 FNTA (0.51) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839572 0.87 FNTA (0.55) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7841845 0.87 FNTA (0.51) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7838097 0.86 FNTA (0.55) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7856913 0.86 FNTA (0.61) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839865 0.84 FNTA (0.53) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7840054 0.84 FNTA (0.49) FNTAFNTBPGGT1BGAALMNA
SCHEMBL446699 0.84 FNTA (0.53) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7839131 0.83 FNTA (0.51) FNTAFNTBPGGT1BGAALMNA
SCHEMBL7829812 0.83 FNTA (0.52) 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 7 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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed