SCHEMBL8865467

SCHEMBL8865467

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.53
FNTB P49356 16/20 0.53
PGGT1B P53609 4/20 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
SCHEMBL8865456 1.00 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7516854 0.93 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL7516868 0.93 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL16792190 0.93 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL8387759 0.91 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL8392089 0.89 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL8391969 0.89 CYP11B1 (0.46) FNTAFNTBPGGT1B
SCHEMBL8392208 0.88 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL8392210 0.88 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL9058006 0.88 FNTA (0.57) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO claimed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed