SCHEMBL4072998

SCHEMBL4072998

O=C(O)ON1CCC2(CCNC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.44
CCNC P24863 14/20 0.36
CDK8 P49336 14/20 0.36
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL4072997 0.77 OTUD7B (0.47) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL11889737 0.77 CRBN (0.47) IDO1
SCHEMBL18711886 0.72 OTUD7B (0.46) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL29890275 0.72 OTUD7B (0.46) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL4073250 0.71 GRIN1 (0.33)
SCHEMBL18113471 0.71 OTUD7B (0.53) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL20395783 0.71 OTUD7B (0.53) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL20395821 0.71 OTUD7B (0.53) OTUD7BCCNCCDK8JAK1TYK2
SCHEMBL479513 0.71
SCHEMBL5559483 0.71 OTUD7B (0.51) OTUD7BCCNCCDK8JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed