SCHEMBL7399596

SCHEMBL7399596

CN1c2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2CN(CCc2ccccc2)C(=O)[C@H]1CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGA2B P08514 20/20 0.68
ITGAV P06756 2/20 0.63

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
SCHEMBL7397591 1.00 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7595687 0.95 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7395726 0.95 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7438528 0.91 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7438524 0.91 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7402539 0.91 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7442820 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7442838 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7399604 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7441121 0.85 ITGB3 (0.69) 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 10 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-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 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
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