SCHEMBL6975938

SCHEMBL6975938

N=C(N)c1ccc(NC(=O)C2CC2C(=O)N[C@@H](CC(=O)O)c2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.70
ITGA2B P08514 13/20 0.70
ITGAV P06756 6/20 0.44
CYP3A4 P08684 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.42

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
SCHEMBL7085479 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAVCYP3A4SUCNR1
SCHEMBL7352353 0.89 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7344449 0.89 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7086286 0.88 ITGB3 (0.54) ITGB3ITGA2BCYP3A4
SCHEMBL7086294 0.88 ITGB3 (0.54) ITGB3ITGA2BCYP3A4
SCHEMBL9558976 0.85 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7391723 0.85 ITGB3 (0.79) ITGB3ITGA2BITGAVSUCNR1
SCHEMBL6978255 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7972452 0.82 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL9558988 0.81 ITGB3 (0.64) ITGB3ITGA2B

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-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed