SCHEMBL7344449

SCHEMBL7344449

N=C(N)c1ccc(NC(=O)C2CC2C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.66
ITGA2B P08514 17/20 0.66
F7 P08709 3/20 0.47
F2 P00734 1/20 0.46

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
SCHEMBL7352353 1.00 ITGB3 (0.66) ITGB3ITGA2BF7F2
SCHEMBL9558976 0.96 ITGB3 (0.66) ITGB3ITGA2BF7F2
SCHEMBL9558988 0.92 ITGB3 (0.64) ITGB3ITGA2BF7F2
SCHEMBL9558987 0.92 ITGB3 (0.64) ITGB3ITGA2BF7F2
SCHEMBL7085479 0.89 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL6975938 0.89 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL9559140 0.87 ITGB3 (0.51) ITGB3ITGA2BF7F2
SCHEMBL7417191 0.86 ITGB3 (0.50) ITGB3ITGA2BF7F2
SCHEMBL7414815 0.86 ITGB3 (0.50) ITGB3ITGA2BF7F2
SCHEMBL7420620 0.83 ITGB3 (0.64) ITGB3ITGA2BF7F2

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
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed