SCHEMBL4368391

SCHEMBL4368391

O=C(O)C[C@@H](c1cccc(F)c1)N1CC[C@@H](CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.74
ITGB3 P05106 19/20 0.74
ITGB6 P18564 4/20 0.59
ITGB8 P26012 2/20 0.59
ITGB5 P18084 3/20 0.59
ITGA2B P08514 2/20 0.56

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
SCHEMBL4371251 1.00 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7942783 1.00 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL4368384 1.00 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL4381840 0.90 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7947765 0.90 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7936743 0.90 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL4381844 0.90 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7947730 0.88 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL4367920 0.88 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL6222302 0.87 ITGAV (0.57) ITGAVITGB3ITGB6ITGB8ITGB5

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
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 claimed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
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
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