SCHEMBL4247124

SCHEMBL4247124

N#CC1(NC(=O)[CH]CCC(F)(F)c2ccc(F)cc2C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.37
CTSS P25774 14/20 0.36
CTSK P43235 10/20 0.36
CTSB P07858 9/20 0.36
RORC P51449 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
SCHEMBL4241257 0.87 CTSL (0.37) CTSLCTSSCTSKCTSB
SCHEMBL4239023 0.84 CTSL (0.34) CTSLCTSSCTSKCTSB
SCHEMBL4245581 0.78 CTSL (0.39) CTSLCTSSCTSKCTSB
SCHEMBL4240318 0.78 CTSL (0.33) CTSLCTSSCTSKCTSB
SCHEMBL4245192 0.77 CTSK (0.34) CTSLCTSSCTSKCTSB
SCHEMBL4244686 0.77 CTSK (0.34) CTSLCTSSCTSKCTSB
SCHEMBL4244407 0.75 ANO1 (0.36) CTSLCTSSCTSKCTSB
SCHEMBL11889808 0.73 CTSC (0.33) CTSLCTSSCTSKCTSB
SCHEMBL4250621 0.70 CTSS (0.39) CTSLCTSSCTSKCTSB
SCHEMBL4066120 0.68 CTSL (0.37) CTSLCTSSCTSKCTSB

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