SCHEMBL7101412

SCHEMBL7101412

O=C(O)CCN1CCC(C(=O)N2CCC(c3ccc4c(n3)NCCC4)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.44
ITGA2B P08514 9/20 0.44
ITGAV P06756 18/20 0.41
ITGB6 P18564 4/20 0.41
ITGB5 P18084 7/20 0.41
ITGB1 P05556 1/20 0.41

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
SCHEMBL7681204 0.90 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL20487848 0.82 ITGAV (0.40) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL31241592 0.82 ITGAV (0.40) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL21953862 0.81 ITGAV (0.41) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL20481255 0.81 ITGAV (0.42) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL2383101 0.80 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL22008996 0.79 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL22008994 0.79 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL7682486 0.79 ITGAV (0.43) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL21832084 0.79 ITGAV (0.45) ITGB3ITGA2BITGAVITGB6ITGB5

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