SCHEMBL3887660

SCHEMBL3887660

COc1ccc([C@H](CC(=O)O)N2CCC(CCCc3ccc4c(n3)NCCC4)C2=O)cn1

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 5/20 0.72
ITGA2B P08514 3/20 0.72
ITGB8 P26012 3/20 0.72
ITGB1 P05556 2/20 0.72
ITGA5 P08648 2/20 0.72
ITGB5 P18084 1/20 0.60

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
SCHEMBL3887650 1.00 ITGAV (0.73) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29701424 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20157753 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21314357 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL3890340 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL3890345 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20141183 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20158279 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29701391 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL3885298 0.89 ITGAV (0.76) ITGAVITGB3ITGB6ITGA2BITGB8

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-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
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