SCHEMBL7945568

SCHEMBL7945568

O=C(O)C[C@@H](c1cnc2ccccc2c1)N1CCC(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 1.00
ITGB3 P05106 19/20 1.00
ITGA2B P08514 6/20 0.67
ITGB5 P18084 4/20 0.64
ITGB6 P18564 1/20 0.54
ITGB8 P26012 1/20 0.54

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
SCHEMBL3888804 1.00 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL3888492 1.00 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL3888493 1.00 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL20141070 0.92 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL20141072 0.92 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7936622 0.91 ITGB3 (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7942792 0.91 ITGB3 (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7936619 0.91 ITGB3 (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7945639 0.91 ITGB3 (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL4045472 0.88 ITGAV (0.79) ITGAVITGB3ITGA2BITGB5ITGB6

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 2 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 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