SCHEMBL6677798

SCHEMBL6677798

CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc3c(c2)CN(CCc2ccccc2)C(=O)C(CC(=O)O)N3)C(CCN)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGA2B P08514 16/20 0.56
ITGAV P06756 6/20 0.51

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
SCHEMBL6690640 0.82 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6673859 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL6673864 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL8466232 0.80 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL6690645 0.79 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6952920 0.75 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6952917 0.75 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6674674 0.74 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6674672 0.74 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7079853 0.74 ITGB3 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed