SCHEMBL4248166

SCHEMBL4248166

N#CC1(NC(=O)[CH]CC(F)(F)Cc2ccnc(C(N)=O)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.36
CTSS P25774 3/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
ANO1 Q5XXA6 9/20 0.36
GRM2 Q14416 2/20 0.34
IGF1R P08069 1/20 0.33
CTSL P07711 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL4069051 0.79 CTSK (0.35) CTSSCTSBCTSKANO1CTSL
SCHEMBL4239823 0.79 CTSS (0.51) CTSSCTSBCTSKCTSL
SCHEMBL4244407 0.78 ANO1 (0.36) CTSSCTSBCTSKANO1CTSL
SCHEMBL4069813 0.78 CTSK (0.34) CTSSCTSBCTSKCTSLJAK2
SCHEMBL4066120 0.76 CTSL (0.37) CTSSCTSBCTSKCTSL
SCHEMBL4245581 0.75 CTSL (0.39) CTSSCTSBCTSKCTSL
SCHEMBL4246964 0.73 CTSL (0.37) CTSSCTSBCTSKCTSL
SCHEMBL4243855 0.72 CTSK (0.33) CTSSCTSBCTSKCTSL
SCHEMBL4246746 0.71 CTSL (0.36) CTSSCTSBCTSKCTSL
SCHEMBL3881247 0.70 CTSK (0.34) CTSSCTSBCTSKCTSL

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