SCHEMBL7096049

SCHEMBL7096049

O=C(O)CC1CCN(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGB5 P18084 20/20 0.56
ITGB1 P05556 1/20 0.56

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
SCHEMBL7101413 0.95 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1
SCHEMBL7679223 0.87 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1
SCHEMBL7100120 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1
SCHEMBL7095811 0.84 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1
SCHEMBL7096359 0.84 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1
SCHEMBL7099550 0.84 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1
SCHEMBL23542464 0.83 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1
SCHEMBL23542465 0.83 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1
SCHEMBL7097098 0.82 ITGB3 (0.53) ITGB3ITGAVITGB5ITGB1
SCHEMBL20488147 0.82 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB1

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
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
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
WO-2000078317-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-28 WO claimed
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