SCHEMBL7375503

SCHEMBL7375503

O=C(O)CC[C@H]1Cc2ccc(OCCCNc3cccc[n+]3[O-])cc2CN(Cc2ccc(F)c(F)c2F)C1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGAV P06756 9/20 0.46
ITGA2B P08514 6/20 0.46
ITGB5 P18084 2/20 0.37
ITGB1 P05556 1/20 0.37

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
SCHEMBL7514763 0.93 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7514754 0.93 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419571 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2785184 0.79 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2784510 0.79 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418707 0.79 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7402755 0.78 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7402752 0.78 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418531 0.78 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418535 0.78 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1

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
EP-1023073-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP disclosed
WO-1999015178-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed