SCHEMBL7410025

SCHEMBL7410025

CC(C)(C)OC(=O)CCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.65
ITGB3 P05106 16/20 0.65
ITGB6 P18564 6/20 0.53
ITGB5 P18084 5/20 0.48
ITGA2B P08514 1/20 0.48
ITGB8 P26012 3/20 0.47
CCR2 P41597 1/20 0.47

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
SCHEMBL7376995 0.86 ITGB3 (0.86) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL22029454 0.81 ITGAV (0.75) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21328993 0.81 ITGAV (0.71) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL29416577 0.81 ITGAV (0.71) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7980834 0.81 ITGB3 (0.77) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL10051022 0.80 ITGAV (0.71) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL21330221 0.79 ITGAV (0.68) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL29416370 0.79 ITGAV (0.68) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6798154 0.79 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL3219843 0.79 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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