SCHEMBL7947633

SCHEMBL7947633

COc1cncc([C@H](CC(=O)O)N2CCC(CCCc3ccc4c(n3)NCCC4)C2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGAV P06756 20/20 0.72
ITGB6 P18564 3/20 0.54
ITGB8 P26012 2/20 0.54
ITGB1 P05556 2/20 0.54
ITGA2B P08514 2/20 0.54
ITGA5 P08648 2/20 0.54
ITGB5 P18084 1/20 0.51

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
SCHEMBL7947630 1.00 ITGB3 (0.72) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL7944232 0.93 ITGAV (0.72) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL7944238 0.93 ITGAV (0.72) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL3887650 0.86 ITGAV (0.73) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL3887660 0.86 ITGAV (0.73) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL3889354 0.85 ITGAV (0.72) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL3889356 0.85 ITGAV (0.72) ITGB3ITGAVITGB6ITGB8ITGB1
SCHEMBL3888493 0.84 ITGAV (1.00) ITGB3ITGAVITGB6ITGB8ITGA2B
SCHEMBL7945568 0.84 ITGAV (1.00) ITGB3ITGAVITGB6ITGB8ITGA2B
SCHEMBL3888492 0.84 ITGAV (1.00) ITGB3ITGAVITGB6ITGB8ITGA2B

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 3 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
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