SCHEMBL4063005

SCHEMBL4063005

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.34
CTSK P43235 10/20 0.34
CTSL P07711 8/20 0.34
CTSS P25774 8/20 0.34
CTSB P07858 7/20 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
SCHEMBL4250968 0.88 CTSS (0.43) CTSKCTSLCTSSCTSB
SCHEMBL11889808 0.86 CTSC (0.33) CTSCCTSKCTSLCTSSCTSB
SCHEMBL4243855 0.83 CTSK (0.33) CTSCCTSKCTSLCTSSCTSB
SCHEMBL4242428 0.80 CTSK (0.32) CTSCCTSKCTSLCTSSCTSB
SCHEMBL4244011 0.78 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL5365890 0.74 CTSC (0.32) CTSCCTSL
SCHEMBL5361109 0.74 CTSS (0.35) CTSCCTSKCTSLCTSSCTSB
SCHEMBL5368719 0.73 CTSS (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4066120 0.72 CTSL (0.37) CTSCCTSKCTSLCTSSCTSB
SCHEMBL4250590 0.72 CTSS (0.50) CTSKCTSLCTSSCTSB

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 8 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-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