SCHEMBL6950004

SCHEMBL6950004

CN(CCc1ccncc1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(C)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.66
ITGA2B P08514 19/20 0.66
ITGAV P06756 3/20 0.46
ROCK2 O75116 1/20 0.43

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 0.89 ITGB3 (0.72) ITGB3ITGA2BITGAVROCK2
SCHEMBL6674305 0.88 ITGB3 (0.69) ITGB3ITGA2BITGAVROCK2
SCHEMBL7438405 0.83 ITGB3 (0.67) ITGB3ITGA2BITGAVROCK2
SCHEMBL6953547 0.80 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6945074 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6944818 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6948600 0.78 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6948601 0.78 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6947924 0.74 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6947929 0.74 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 4 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 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