SCHEMBL4245192

SCHEMBL4245192

N#CC1(NC(=O)[CH]CCC(F)(F)c2cccnc2C(N)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
SCD O00767 1/20 0.34
CTSS P25774 7/20 0.34
CTSL P07711 6/20 0.33
CTSB P07858 2/20 0.33
NAMPT P43490 1/20 0.33
SSTR4 P31391 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
SCHEMBL4244686 0.84 CTSK (0.34) CTSKCTSSCTSLCTSBNAMPT
SCHEMBL4241257 0.84 CTSL (0.37) CTSKCTSSCTSLCTSB
SCHEMBL4239023 0.81 CTSL (0.34) CTSKCTSSCTSLCTSB
SCHEMBL4069051 0.79 CTSK (0.35) CTSKCTSSCTSLCTSBNAMPT
SCHEMBL4244407 0.78 ANO1 (0.36) CTSKCTSSCTSLCTSB
SCHEMBL4247124 0.77 CTSL (0.37) CTSKCTSSCTSLCTSB
SCHEMBL4240318 0.77 CTSL (0.33) CTSKCTSSCTSLCTSB
SCHEMBL4069813 0.72 CTSK (0.34) CTSKCTSSCTSLCTSBNAMPT
SCHEMBL11889808 0.72 CTSC (0.33) CTSKCTSSCTSLCTSB
SCHEMBL4250621 0.71 CTSS (0.39) CTSKCTSSCTSLCTSB

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