SCHEMBL4053563

SCHEMBL4053563

O=C(O)CC(c1ccc2c(n1)OCC2)N1CCC(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.50
ITGAV P06756 16/20 0.50

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
SCHEMBL4370183 0.86 ITGB3 (0.52) ITGB3ITGAV
SCHEMBL4371975 0.86 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL4048448 0.85 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL7592528 0.85 ITGAV (0.48) ITGB3ITGAV
SCHEMBL4379967 0.85 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4374753 0.85 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL7595883 0.85 ITGAV (0.48) ITGB3ITGAV
SCHEMBL3884027 0.80 ITGB3 (0.76) ITGB3ITGAV
SCHEMBL4050199 0.80 ITGB3 (0.51) ITGB3ITGAV
SCHEMBL4374458 0.80 ITGB3 (0.45) ITGB3ITGAV

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP claimed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP claimed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed