SCHEMBL7847643

SCHEMBL7847643

Cc1ncc(CN2CCC(CO)(Cc3cc(Cl)ccc3Cl)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.48
FNTB P49356 4/20 0.48
PGGT1B P53609 4/20 0.48
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.37
XBP1 P17861 1/20 0.37
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
GPR6 P46095 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 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
SCHEMBL7839572 0.87 FNTA (0.55) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL446699 0.87 FNTA (0.53) FNTAFNTBPGGT1BLMNANPSR1
SCHEMBL7829812 0.86 FNTA (0.52) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL29372490 0.86 FNTA (0.48) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL444276 0.86 FNTA (0.48) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL7849238 0.85 FNTA (0.49) FNTAFNTBPGGT1BNPSR1POLB
SCHEMBL7839131 0.85 FNTA (0.51) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL7839733 0.84 FNTA (0.55) FNTAFNTBPGGT1BLMNAPOLB
SCHEMBL7838097 0.84 FNTA (0.55) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL7856913 0.84 FNTA (0.61) FNTAFNTBPGGT1BLMNAPOLB

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