SCHEMBL7839865

SCHEMBL7839865

Cc1cccc(CC2(CO)CCN(Cc3cnc(C)n3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.53
FNTB P49356 5/20 0.53
PGGT1B P53609 5/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
OPRK1 P41145 1/20 0.46
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7838097 0.95 FNTA (0.55) FNTAFNTBPGGT1BKMT2AMEN1
Trifluoroacetic Acid SCHEMBL7841379 0.93 FNTA (0.53) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL446699 0.92 FNTA (0.53) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7839131 0.92 FNTA (0.51) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7856913 0.91 FNTA (0.61) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7839572 0.91 FNTA (0.55) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7840536 0.90 FNTA (0.54) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7839160 0.89 NPSR1 (0.53) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7848346 0.88 FNTA (0.49) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7843579 0.88 FNTA (0.53) FNTAFNTBPGGT1BKMT2AMEN1

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