SCHEMBL13712259

SCHEMBL13712259

CCOC(=O)[C@@H](N)CNc1ncnc(N2CCC(c3ccc4c(n3)NCCC4)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.53
ITGB3 P05106 15/20 0.53
ITGB5 P18084 6/20 0.53
ITGB6 P18564 5/20 0.53
ITGA5 P08648 3/20 0.53
ITGB1 P05556 1/20 0.53
ITGB8 P26012 1/20 0.53
ITGA2B P08514 2/20 0.34
CACNA2D1 P54289 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL13712253 0.93 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL275460 0.92 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL2411157 0.92 ITGAV (0.57) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL275631 0.85 ITGAV (0.47) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL8350656 0.85 ITGAV (0.47) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL2411809 0.85 ITGAV (0.51) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL2951966 0.84 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL2951965 0.84 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL277546 0.82 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGA5
SCHEMBL5584350 0.82 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGA5

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