SCHEMBL13712264

SCHEMBL13712264

CCc1c(NC[C@H](NC(=O)c2ccc(CCC(=O)OC)cc2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.50
ITGB6 P18564 15/20 0.50
ITGB3 P05106 6/20 0.50
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB5 P18084 1/20 0.50
ITGB8 P26012 1/20 0.50
ITGA2B P08514 2/20 0.38

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
SCHEMBL2450787 0.91 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328186 0.91 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL327985 0.90 ITGAV (0.52) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL8268188 0.90 ITGAV (0.52) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328067 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13237288 0.89 ITGAV (0.64) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL5585150 0.87 ITGAV (0.50) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL10202486 0.87 ITGAV (0.50) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL327990 0.86 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328082 0.85 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed