SCHEMBL4381234

SCHEMBL4381234

O=C(O)C[C@@H](c1cnc2c(c1)OC(=O)CN2)N1CCC(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.73
ITGB3 P05106 18/20 0.73
ITGB6 P18564 3/20 0.51
ITGB8 P26012 3/20 0.51
ITGA2B P08514 2/20 0.51
ITGB1 P05556 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGB5 P18084 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
SCHEMBL7936710 1.00 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL7944256 0.91 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL7944250 0.91 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL3888089 0.87 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL3888804 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL7945568 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL3888492 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL3888493 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL7945753 0.84 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL4045472 0.84 ITGAV (0.79) ITGAVITGB3ITGB6ITGB8ITGA2B

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
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US claimed
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed