SCHEMBL4244407

SCHEMBL4244407

N#CC1(NC(=O)[CH]CCC(F)(F)c2ccnc(C(N)=O)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 8/20 0.36
CTSL P07711 3/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
TRPA1 O75762 1/20 0.32
MAPK1 P28482 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CTSK P43235 2/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4248166 0.78 LOXL2 (0.36) ANO1CTSLJAK2JAK1CTSK
SCHEMBL4244686 0.78 CTSK (0.34) ANO1CTSLCTSKCTSBCTSS
SCHEMBL4245192 0.78 CTSK (0.34) CTSLCTSKCTSBCTSS
SCHEMBL4241257 0.76 CTSL (0.37) CTSLCTSKCTSBCTSS
SCHEMBL4247124 0.75 CTSL (0.37) CTSLCTSKCTSBCTSS
SCHEMBL4250621 0.75 CTSS (0.39) CTSLJAK2JAK1CTSKCTSB
SCHEMBL11889808 0.75 CTSC (0.33) CTSLCTSKCTSBCTSS
SCHEMBL4239023 0.73 CTSL (0.34) CTSLCTSKCTSBCTSS
SCHEMBL4240318 0.69 CTSL (0.33) CTSLCTSKCTSBCTSS
SCHEMBL4069051 0.67 CTSK (0.35) ANO1CTSLCTSKCTSBCTSS

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