SCHEMBL4370191

SCHEMBL4370191

O=C(O)C[C@@H](c1ccc2c(n1)NCCO2)N1CCC(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGAV P06756 20/20 0.76
ITGB5 P18084 1/20 0.49
ITGA2B P08514 1/20 0.48

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
SCHEMBL4370498 1.00 ITGB3 (0.76) ITGB3ITGAVITGB5ITGA2B
SCHEMBL3884027 0.90 ITGB3 (0.76) ITGB3ITGAVITGB5
SCHEMBL7944250 0.86 ITGAV (0.82) ITGB3ITGAVITGB5ITGA2B
SCHEMBL7944256 0.86 ITGAV (0.82) ITGB3ITGAVITGB5ITGA2B
SCHEMBL3885042 0.86 ITGB3 (0.66) ITGB3ITGAVITGB5
SCHEMBL3885043 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL3886509 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL3885035 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL3893571 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL4371981 0.84 ITGAV (0.64) ITGB3ITGAVITGB5ITGA2B

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