SCHEMBL7401684

SCHEMBL7401684

CCCCOC(=O)N(CCCOc1ccc2c(c1)CN(Cc1ccccc1)C(=O)C(CC(=O)O)C2)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGA2B P08514 10/20 0.51
ITGAV P06756 8/20 0.51
ITGB1 P05556 1/20 0.40
ITGB5 P18084 1/20 0.40
PPARD Q03181 4/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL7401681 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7370330 0.95 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7400162 0.93 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7400165 0.93 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6420692 0.91 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6418662 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6422307 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6419322 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6419461 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7495482 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5

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-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO disclosed