SCHEMBL7399461

SCHEMBL7399461

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@@H](CC(=O)O)C3)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGA2B P08514 20/20 0.72
ITGAV P06756 2/20 0.64

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
SCHEMBL7399458 1.00 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6676552 0.97 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7401590 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7397682 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7397681 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7399596 0.83 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7397591 0.83 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7396973 0.83 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7393650 0.83 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7404819 0.83 ITGB3 (0.68) 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 7 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 claimed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP claimed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO claimed
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
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed