SCHEMBL4070104

SCHEMBL4070104

N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC(OC(=O)O)=NO3)C2)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSB P07858 20/20 0.65
CTSS P25774 20/20 0.65
CTSK P43235 20/20 0.65

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
SCHEMBL4070875 0.96 CTSB (0.70) CTSBCTSSCTSK
SCHEMBL11889783 0.96 CTSB (0.61) CTSBCTSSCTSK
SCHEMBL346070 0.90 CTSB (0.69) CTSBCTSSCTSK
SCHEMBL346963 0.86 CTSB (0.75) CTSBCTSSCTSK
SCHEMBL347100 0.85 CTSB (0.65) CTSBCTSSCTSK
SCHEMBL4069892 0.85 CTSB (0.56) CTSBCTSSCTSK
SCHEMBL11889776 0.85 CTSB (0.65) CTSBCTSSCTSK
SCHEMBL346505 0.80 CTSB (1.00) CTSBCTSSCTSK
SCHEMBL347857 0.79 CTSB (0.82) CTSBCTSSCTSK
SCHEMBL347338 0.79 CTSB (0.57) CTSBCTSSCTSK

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