SCHEMBL7009416

SCHEMBL7009416

CCOC(=O)[C@H](CN1C(=O)C(N2CCC(c3ccc4c(n3)NCCC4)CC2)C1=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.41
ITGB3 P05106 19/20 0.41
ITGA2B P08514 2/20 0.41
ITGB5 P18084 4/20 0.38
ITGB6 P18564 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB8 P26012 1/20 0.37

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
SCHEMBL7006995 0.91 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7007604 0.88 ITGAV (0.48) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7013233 0.83 ITGB3 (0.45) ITGAVITGB3ITGA2BITGB5ITGB1
SCHEMBL7007999 0.79 ITGAV (0.52) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7568240 0.78 SLC6A2 (0.34) ITGB3ITGA2B
SCHEMBL7013422 0.77 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7013425 0.74 ITGAV (0.47) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7012225 0.74 ITGAV (0.48) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7575967 0.74 SLC6A2 (0.33) ITGB3ITGA2B
SCHEMBL7912469 0.72 ITGB3 (0.56) ITGAVITGB3ITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946165-B1 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-04-09 EP claimed
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0946165-B1 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-04-09 EP disclosed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
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
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed