SCHEMBL7936619

SCHEMBL7936619

CCOC(=O)CC(c1cnc2ccccc2c1)N1CCC(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGAV P06756 20/20 0.82
ITGA2B P08514 7/20 0.57
ITGB5 P18084 3/20 0.56
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGB6 P18564 1/20 0.46
ITGB8 P26012 1/20 0.46

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
SCHEMBL7942792 1.00 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7936622 1.00 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7945639 1.00 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7945568 0.91 ITGAV (1.00) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3888804 0.91 ITGAV (1.00) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3888492 0.91 ITGAV (1.00) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3888493 0.91 ITGAV (1.00) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4381844 0.86 ITGAV (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7947765 0.86 ITGAV (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7936743 0.86 ITGAV (0.61) ITGB3ITGAVITGA2BITGB5ITGB6

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