SCHEMBL7100647

SCHEMBL7100647

O=C(O)COc1ccc(C(=O)N2CCCC(Cc3ccc4c(n3)NCCC4)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.51
ITGAV P06756 20/20 0.51
ITGB5 P18084 16/20 0.51
ITGB1 P05556 2/20 0.46
ITGB6 P18564 4/20 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
SCHEMBL7095454 0.90 ITGB3 (0.51) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL7099242 0.81 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL7403607 0.78 ITGAV (0.54) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL7096359 0.77 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1
SCHEMBL7094539 0.77 ITGAV (0.53) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL7097098 0.76 ITGB3 (0.53) ITGB3ITGAVITGB5ITGB1
SCHEMBL7096049 0.76 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB1
SCHEMBL7100120 0.76 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1
SCHEMBL7101413 0.72 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1
SCHEMBL7012378 0.72 ITGAV (0.49) ITGB3ITGAVITGB5ITGB1ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194151-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-15 EP claimed
EP-1194151-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-04-10 EP claimed
WO-2000078317-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-28 WO 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