SCHEMBL6432159

SCHEMBL6432159

CCOC(=O)CC(NCCNCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 20/20 0.60
ITGB6 P18564 9/20 0.52
ITGB1 P05556 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 8/20 0.49
ITGB8 P26012 8/20 0.49

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
SCHEMBL6432161 1.00 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6435940 0.85 ITGAV (0.53) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6435942 0.85 ITGAV (0.53) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6303762 0.83 ITGAV (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6303755 0.83 ITGAV (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL7443091 0.82 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL7443095 0.82 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6220968 0.82 ITGAV (0.52) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6220962 0.82 ITGAV (0.52) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6431924 0.78 ITGAV (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B

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
EP-1040111-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-06-22 EP disclosed