SCHEMBL4246746

SCHEMBL4246746

N#CC1(NC(=O)[CH]CC(F)(F)Cc2ccccc2OC(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.36
CTSB P07858 6/20 0.35
CTSS P25774 6/20 0.35
CTSK P43235 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL4066120 0.85 CTSL (0.37) CTSLCTSBCTSSCTSK
SCHEMBL4069051 0.80 CTSK (0.35) CTSLCTSBCTSSCTSK
SCHEMBL4246964 0.80 CTSL (0.37) CTSLCTSBCTSSCTSK
SCHEMBL4239823 0.80 CTSS (0.51) CTSLCTSBCTSSCTSK
SCHEMBL4245581 0.78 CTSL (0.39) CTSLCTSBCTSSCTSK
SCHEMBL4243855 0.73 CTSK (0.33) CTSLCTSBCTSSCTSK
SCHEMBL4242428 0.72 CTSK (0.32) CTSLCTSBCTSSCTSK
SCHEMBL4248166 0.71 LOXL2 (0.36) CTSLCTSBCTSSCTSK
SCHEMBL3881247 0.71 CTSK (0.34) CTSLCTSBCTSSCTSK
SCHEMBL4063005 0.70 CTSC (0.34) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
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