SCHEMBL7101413

SCHEMBL7101413

O=C(O)CC1CCN(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.54
ITGAV P06756 20/20 0.54
ITGB5 P18084 18/20 0.54
ITGB1 P05556 1/20 0.54
ITGA2B P08514 2/20 0.50

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
SCHEMBL7096049 0.95 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB1
SCHEMBL7095811 0.89 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL23542465 0.88 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL23542464 0.88 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL7099550 0.86 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL22893600 0.86 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL20488147 0.86 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB1ITGA2B
SCHEMBL30335853 0.85 ITGAV (0.52) ITGB3ITGAVITGB5ITGB1
SCHEMBL7100120 0.85 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1
SCHEMBL23542444 0.84 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358970-B1 FOR THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-03-19 US claimed
EP-1194151-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-15 EP disclosed
EP-1194151-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6358970-B1 FOR THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-03-19 US disclosed
WO-2000078317-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-28 WO disclosed