SCHEMBL7434218

SCHEMBL7434218

CN(C(=O)c1ccc2c(c1)N[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2)c1ccc(C#N)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGA2B P08514 18/20 0.79
ITGAV P06756 4/20 0.54

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
SCHEMBL7437134 0.89 ITGB3 (0.84) ITGB3ITGA2BITGAV
SCHEMBL6953188 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6953198 0.85 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7445371 0.85 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7434210 0.83 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7434221 0.83 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7602815 0.82 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL6949745 0.82 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL6677527 0.82 ITGB3 (0.82) ITGB3ITGA2BITGAV
SCHEMBL6677549 0.81 ITGB3 (0.70) ITGB3ITGA2BITGAV

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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed