SCHEMBL6953547

SCHEMBL6953547

CN(CCc1ccnc(N)c1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGA2B P08514 19/20 0.67
ITGAV P06756 1/20 0.46

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
SCHEMBL6945833 0.91 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6949483 0.86 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6951200 0.86 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6953549 0.83 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL6674305 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL6677719 0.81 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6677710 0.81 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6945102 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6945079 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6950004 0.80 ITGB3 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
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-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