SCHEMBL4245817

SCHEMBL4245817

CN1CCC(C#N)(NC(=O)[CH]CC(F)(F)CCC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.40
CTSK P43235 9/20 0.40
CTSB P07858 8/20 0.40
CTSL P07711 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
SCHEMBL3881247 0.90 CTSK (0.34) CTSSCTSKCTSBCTSL
SCHEMBL4250968 0.84 CTSS (0.43) CTSSCTSKCTSBCTSL
SCHEMBL4250590 0.82 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL7070917 0.81 CTSS (0.38) CTSSCTSKCTSBCTSL
SCHEMBL5368719 0.80 CTSS (0.42) CTSSCTSKCTSBCTSL
SCHEMBL4243855 0.77 CTSK (0.33) CTSSCTSKCTSBCTSL
SCHEMBL4834545 0.76 CTSS (0.41) CTSSCTSKCTSBCTSL
SCHEMBL7074903 0.73 CTSS (0.39) CTSSCTSKCTSBCTSL
SCHEMBL4244011 0.72 CTSK (0.40) CTSSCTSKCTSBCTSL
SCHEMBL4242428 0.72 CTSK (0.32) CTSSCTSKCTSBCTSL

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