SCHEMBL7007936

SCHEMBL7007936

O=C(O)CC(Sc1cccc(NC(=O)c2cccc(Nc3ccccn3)c2)c1)c1ccccc1.O=C(O)CC(Sc1ccccc1NC(=O)c1cccc(Nc2ccccn2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.51
ITGAV P06756 20/20 0.51
ITGA2B P08514 12/20 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
SCHEMBL2836903 0.94 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL2836649 0.93 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7007942 0.93 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL2837824 0.88 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL2838053 0.87 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL2841463 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL2838617 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL2836137 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL2841958 0.81 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL2836209 0.81 ITGB3 (0.68) ITGB3ITGAVITGA2B

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-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP claimed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO claimed