SCHEMBL7374387

SCHEMBL7374387

NCC(=O)N(C[C@@H](C(=O)O)c1cccnc1)C(=O)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.54
ITGB3 P05106 18/20 0.54
ITGB5 P18084 5/20 0.51
ITGB6 P18564 4/20 0.51
ITGA2B P08514 3/20 0.51
ITGB8 P26012 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
SCHEMBL7380582 0.91 ITGAV (0.47) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL7995248 0.85 ITGAV (0.68) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL7995004 0.78 ITGAV (0.58) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL29154194 0.77 ITGAV (0.54) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL6357539 0.73 ITGAV (0.83) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL6422503 0.73 ITGAV (0.83) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL6421258 0.73 ITGAV (0.83) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL7910542 0.73 ITGAV (0.60) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL6910366 0.72 ITGAV (0.76) ITGAVITGB3ITGB6ITGB8
SCHEMBL6910373 0.72 ITGAV (0.76) ITGAVITGB3ITGB6ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US claimed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP claimed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP claimed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO claimed
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed