SCHEMBL8467753

SCHEMBL8467753

CC(C)(C)OC(=O)c1ccc2c(c1)CN(CCc1ccccc1)C(=O)C(CC(=O)NCCC#N)N2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.51
ITGA2B P08514 14/20 0.51
ITGAV P06756 8/20 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
SCHEMBL8466232 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL8466598 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL8329415 0.79 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL5973364 0.76 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL337308 0.75 VDR (0.48) ITGB3ITGA2BITGAV
SCHEMBL5972558 0.75 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7397693 0.75 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7397691 0.75 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL8468446 0.74 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL8468435 0.74 ITGB3 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed