SCHEMBL7399346

SCHEMBL7399346

CCCCOC(=O)N(CCCOc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](CC(=O)OC)C2)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.36
ITGA2B P08514 6/20 0.36
ITGAV P06756 5/20 0.36
MAPT P10636 2/20 0.32
GALR3 O60755 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP8 P22894 4/20 0.31
MMP3 P08254 2/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL6419041 0.92 ITGB3 (0.37) ITGB3ITGA2BITGAVMAPTGALR3
SCHEMBL7407629 0.92 ITGB3 (0.37) ITGB3ITGA2BITGAVMMP8MMP3
SCHEMBL7398477 0.84 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL6419328 0.84 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL6419321 0.83 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL6788739 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL6418120 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL6419279 0.79 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL6418659 0.77 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7399466 0.77 ITGB3 (0.44) 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-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