SCHEMBL7945753

SCHEMBL7945753

O=C(O)C[C@@H](c1cnc2c(c1)NCCO2)N1CCC(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.77
ITGB3 P05106 17/20 0.77
ITGA2B P08514 3/20 0.51
ITGB6 P18564 4/20 0.50
ITGB8 P26012 4/20 0.50
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGB5 P18084 2/20 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
SCHEMBL7945748 1.00 ITGAV (0.77) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL3890346 0.91 ITGAV (0.74) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL3890342 0.91 ITGAV (0.74) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL7944256 0.90 ITGAV (0.82) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL7944250 0.90 ITGAV (0.82) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL4045472 0.88 ITGAV (0.79) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL3888089 0.88 ITGAV (0.82) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL7945568 0.87 ITGAV (1.00) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL3888492 0.87 ITGAV (1.00) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL3888493 0.87 ITGAV (1.00) ITGAVITGB3ITGA2BITGB6ITGB8

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-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
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