SCHEMBL2235138

SCHEMBL2235138

COc1c(NCC(NC(=O)OCc2ccccc2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.54
ITGB3 P05106 17/20 0.54
ITGB6 P18564 4/20 0.54
ITGB5 P18084 2/20 0.54
ITGB1 P05556 1/20 0.54
ITGA5 P08648 1/20 0.54
ITGB8 P26012 1/20 0.54
ITGA2B P08514 3/20 0.37

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
SCHEMBL2235143 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2949054 0.93 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2949053 0.93 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL13264884 0.93 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2231328 0.92 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2231336 0.92 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL13237151 0.92 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2232146 0.92 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2232143 0.92 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL276121 0.91 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed