SCHEMBL4069813

SCHEMBL4069813

N#CC1(NC(=O)[CH]CC(F)(F)Cc2ncccc2C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
CTSB P07858 3/20 0.33
NAMPT P43490 1/20 0.33
CD38 P28907 1/20 0.33
CTSC P53634 1/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4069051 0.85 CTSK (0.35) CTSKCTSLCTSSCTSBNAMPT
SCHEMBL4066120 0.84 CTSL (0.37) CTSKCTSLCTSSCTSBCTSC
SCHEMBL4246964 0.81 CTSL (0.37) CTSKCTSLCTSSCTSBCTSC
SCHEMBL4248166 0.78 LOXL2 (0.36) CTSKCTSLCTSSCTSBJAK2
SCHEMBL4244686 0.78 CTSK (0.34) CTSKCTSLCTSSCTSBNAMPT
SCHEMBL4245581 0.77 CTSL (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4239823 0.77 CTSS (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4246746 0.73 CTSL (0.36) CTSKCTSLCTSSCTSB
SCHEMBL4243855 0.72 CTSK (0.33) CTSKCTSLCTSSCTSBCTSC
SCHEMBL4241257 0.71 CTSL (0.37) CTSKCTSLCTSSCTSBCTSC

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