SCHEMBL6225569

SCHEMBL6225569

CC(C)(C)OC(=O)N(CCC=O)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.51
ITGB6 P18564 8/20 0.51
ITGB3 P05106 13/20 0.45
ITGA2B P08514 4/20 0.45
ITGB5 P18084 2/20 0.45
ITGA5 P08648 1/20 0.42
ITGB8 P26012 1/20 0.41

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
SCHEMBL6431911 0.93 ITGAV (0.52) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL19465186 0.85 ITGAV (0.57) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6222793 0.85 ITGAV (0.49) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6433481 0.84 ITGAV (0.49) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6225565 0.83 ITGAV (0.52) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6222791 0.78 ITGAV (0.51) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL30336559 0.77 ITGAV (0.55) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL7415000 0.77 ITGAV (0.55) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL20481203 0.76 ITGAV (0.57) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6421610 0.75 ITGAV (0.63) ITGAVITGB6ITGB3ITGA2BITGB5

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-1044001-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-07-06 EP disclosed