SCHEMBL7480291

SCHEMBL7480291

COc1cccc(C(=O)N2Cc3ccccc3C[C@H]2Cn2cncc2Cc2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.52
FNTB P49356 15/20 0.52
CFTR P13569 1/20 0.45
NR1D1 P20393 2/20 0.44
PGGT1B P53609 3/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL7480297 1.00 FNTA (0.52) FNTAFNTBCFTRNR1D1PGGT1B
SCHEMBL7481387 0.89 FNTA (0.51) FNTAFNTBNR1D1PGGT1B
SCHEMBL7535976 0.89 FNTA (0.51) FNTAFNTBNR1D1PGGT1B
SCHEMBL7473823 0.74 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7534933 0.73 FNTA (0.44) FNTAFNTB
SCHEMBL7534925 0.73 FNTA (0.46) FNTAFNTB
SCHEMBL7533369 0.72 FNTA (0.58) FNTAFNTBPGGT1BKCNH2
SCHEMBL7533374 0.72 FNTA (0.58) FNTAFNTBPGGT1BKCNH2
SCHEMBL7582240 0.72 FNTA (0.45) FNTAFNTB
SCHEMBL16889036 0.72 NR1D1 (0.52) NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP claimed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed