SCHEMBL7597411

SCHEMBL7597411

COC(=O)CC1Nc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGA2B P08514 18/20 0.78
ITGAV P06756 4/20 0.78

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
SCHEMBL7396973 0.92 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7398251 0.92 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7397917 0.90 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7597419 0.88 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7592841 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6678140 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7396677 0.87 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7397682 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7397681 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7663414 0.84 ITGB3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed