SCHEMBL4378958

SCHEMBL4378958

CCOC(=O)C[C@@H](c1ccc2c(c1)OCC2)N1CC[C@@H](CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.54
ITGAV P06756 12/20 0.54
OGA O60502 3/20 0.35
ITGA2B P08514 1/20 0.32

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
SCHEMBL4372614 1.00 ITGB3 (0.54) ITGB3ITGAVOGAITGA2B
SCHEMBL4374753 0.91 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL4379967 0.91 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7187503 0.86 ITGAV (0.48) ITGB3ITGAVOGAITGA2B
SCHEMBL7944308 0.80 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL3889424 0.80 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL4378963 0.80 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL3889422 0.80 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7947722 0.80 ITGB3 (0.55) ITGB3ITGAVOGAITGA2B
SCHEMBL7947726 0.80 ITGB3 (0.55) ITGB3ITGAVOGAITGA2B

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