SCHEMBL7380579

SCHEMBL7380579

CCOC(=O)CC(NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGB5 P18084 12/20 0.57
ITGB6 P18564 12/20 0.57
ITGB8 P26012 12/20 0.57
ITGA2B P08514 1/20 0.54

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
SCHEMBL6421324 0.93 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421320 0.93 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7374380 0.89 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7009188 0.89 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7009184 0.89 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7995002 0.87 ITGB3 (0.82) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422730 0.81 ITGB3 (0.85) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422734 0.81 ITGB3 (0.85) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6423205 0.79 ITGB3 (0.81) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7008303 0.78 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8

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