SCHEMBL22631925

SCHEMBL22631925

CCc1c(NCC(NC(=O)OCCCC(=O)O)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.51
ITGB6 P18564 17/20 0.51
ITGB3 P05106 4/20 0.51
ITGB1 P05556 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGB5 P18084 1/20 0.51
ITGB8 P26012 1/20 0.51

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
SCHEMBL21745032 1.00 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2232143 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2232146 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13237151 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21745024 0.88 ITGAV (0.53) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2231847 0.87 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2231825 0.87 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2231837 0.87 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13237165 0.85 ITGB3 (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328144 0.85 ITGAV (0.52) 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
EP-3613739-B1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-11-04 EP disclosed