SCHEMBL4050199

SCHEMBL4050199

O=C(O)CC(c1cnc2c(c1)OCC2)N1CCC(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGAV P06756 8/20 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
SCHEMBL4374753 0.88 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4379967 0.88 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4381225 0.86 ITGAV (0.47) ITGB3ITGAV
SCHEMBL7591574 0.85 ITGAV (0.49) ITGB3ITGAV
SCHEMBL7595601 0.85 ITGAV (0.49) ITGB3ITGAV
SCHEMBL4045463 0.84 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL4370537 0.84 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4372884 0.84 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4363508 0.84 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4368878 0.84 ITGAV (0.47) 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 3 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