SCHEMBL6949652

SCHEMBL6949652

CN(CCN1CCNCC1)C(=O)c1ccc2c(c1)N[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGA2B P08514 19/20 0.79
ITGAV P06756 2/20 0.58

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
SCHEMBL6949513 1.00 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6676427 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6944752 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6676433 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6950158 0.86 ITGB3 (0.87) ITGB3ITGA2BITGAV
SCHEMBL6677719 0.86 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6677710 0.86 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6950161 0.86 ITGB3 (0.87) ITGB3ITGA2BITGAV
SCHEMBL6947924 0.85 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6947929 0.85 ITGB3 (0.74) 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-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
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