SCHEMBL8479505

SCHEMBL8479505

CCOC(=O)C(C(=O)OCC)N1CCC(Cc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB3 P05106 18/20 0.49
ITGB5 P18084 18/20 0.49
ITGB1 P05556 1/20 0.47
ITGA2B P08514 2/20 0.46
ITGB6 P18564 2/20 0.44

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
SCHEMBL8479508 0.95 ITGAV (0.49) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL8483637 0.90 ITGAV (0.47) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL8483640 0.85 ITGAV (0.47) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL7013422 0.84 ITGAV (0.45) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL20480946 0.80 ITGAV (0.52) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL7013425 0.80 ITGAV (0.47) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL22893988 0.80 ITGAV (0.46) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL20141573 0.79 ITGAV (0.44) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL7679223 0.79 ITGB3 (0.49) ITGAVITGB3ITGB5ITGB1ITGA2B
SCHEMBL20480954 0.78 ITGAV (0.46) ITGAVITGB3ITGB5ITGB1ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952341-A VITRONECTIN RECEPTOR ANTAGONISTS FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING RESTENOSIS, DIABETIC RETINOPATHY, TUMOR, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION MERCK & CO., INC. (US) 1999-09-14 US disclosed