SCHEMBL21776328

SCHEMBL21776328

Cc1nc(NC[C@H](C)C(=O)O)c(C)c(N2CCC(c3ccc4c(n3)NCCC4)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.69
ITGB6 P18564 11/20 0.69
ITGB3 P05106 10/20 0.69
ITGB5 P18084 7/20 0.69
ITGB1 P05556 2/20 0.69
ITGA5 P08648 1/20 0.69
ITGB8 P26012 1/20 0.69
ITGA2B P08514 1/20 0.35

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
SCHEMBL275079 0.91 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL5584347 0.91 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL12243894 0.88 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21713110 0.87 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21713112 0.87 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21744208 0.87 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21744760 0.87 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL2446109 0.86 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL2446101 0.86 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL28556443 0.86 ITGAV (0.69) ITGAVITGB6ITGB3ITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613739-B1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-11-04 EP disclosed
EP-3613739-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-26 EP disclosed