SCHEMBL6947653

SCHEMBL6947653

CN(C(=O)c1ccc2c(c1)CC(CC(=O)O)C(=O)N(CCc1ccccc1)C2)c1ccc(C=NN)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGA2B P08514 19/20 0.78
ITGAV P06756 1/20 0.41

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
SCHEMBL6677738 0.89 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7435581 0.88 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL6677670 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6953198 0.85 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7445371 0.85 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6677682 0.84 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6679147 0.83 ITGB3 (0.92) ITGB3ITGA2BITGAV
SCHEMBL6675228 0.83 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7437618 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7401590 0.81 ITGB3 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP claimed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 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