SCHEMBL8387759

SCHEMBL8387759

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.46
FNTB P49356 11/20 0.46
PGGT1B P53609 4/20 0.44
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41

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
SCHEMBL8391969 0.93 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8392210 0.93 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8392208 0.93 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8392089 0.92 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8865467 0.91 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL8865456 0.91 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL8390994 0.90 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8390995 0.90 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8390733 0.90 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL16792190 0.89 FNTA (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed