SCHEMBL7008295

SCHEMBL7008295

O=C(O)CC(NC(=O)CC(=O)NCCCc1ccc2c(n1)NCCC2)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGAV P06756 20/20 0.70
ITGB5 P18084 8/20 0.68
ITGB6 P18564 8/20 0.68
ITGB8 P26012 8/20 0.68
ITGA2B P08514 1/20 0.67

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
SCHEMBL7008303 1.00 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7009188 0.89 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7009184 0.89 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422734 0.89 ITGB3 (0.85) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422730 0.89 ITGB3 (0.85) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7374380 0.88 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7006493 0.85 ITGAV (0.52) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7549076 0.80 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421075 0.79 ITGAV (0.78) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421324 0.78 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8

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 9 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
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed