SCHEMBL4240318

SCHEMBL4240318

N#CC1(NC(=O)[CH]CCC(F)(F)c2cccc(C(N)=O)c2OC(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.33
CTSK P43235 4/20 0.32
CTSS P25774 3/20 0.32
CTSB P07858 2/20 0.32
CTSC P53634 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
SCHEMBL4241257 0.86 CTSL (0.37) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4239023 0.85 CTSL (0.34) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4247124 0.78 CTSL (0.37) CTSLCTSKCTSSCTSB
SCHEMBL4244686 0.77 CTSK (0.34) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4245192 0.77 CTSK (0.34) CTSLCTSKCTSSCTSB
SCHEMBL7666708 0.72 CTSS (0.34) CTSLCTSSCTSB
SCHEMBL4244407 0.69 ANO1 (0.36) CTSLCTSKCTSSCTSB
SCHEMBL11889808 0.69 CTSC (0.33) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4066120 0.68 CTSL (0.37) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4246964 0.68 CTSL (0.37) CTSLCTSKCTSSCTSBCTSC

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