SCHEMBL9409945

SCHEMBL9409945

CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.62
FNTB P49356 4/20 0.62
PGGT1B P53609 1/20 0.53
OPRD1 P41143 3/20 0.49
ACE P12821 2/20 0.48

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
SCHEMBL9409937 1.00 FNTA (0.62) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9410018 1.00 FNTA (0.62) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9409955 0.91 FNTA (0.60) FNTAFNTBPGGT1BOPRD1
SCHEMBL9409972 0.91 FNTA (0.60) FNTAFNTBPGGT1BOPRD1
SCHEMBL9409964 0.91 FNTA (0.60) FNTAFNTBPGGT1BOPRD1
SCHEMBL9409861 0.90 FNTA (0.60) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9409874 0.90 FNTA (0.60) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9409851 0.90 FNTA (0.60) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9409873 0.90 FNTA (0.62) FNTAFNTBPGGT1BOPRD1ACE
SCHEMBL9409884 0.90 FNTA (0.62) FNTAFNTBPGGT1BOPRD1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP claimed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP disclosed