SCHEMBL4243604

SCHEMBL4243604

C[C@@H](C[CH]C(=O)NC1(C#N)CC1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.37
CTSK P43235 6/20 0.35
CTSC P53634 2/20 0.34
CTSS P25774 5/20 0.34
CTSB P07858 2/20 0.34

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
SCHEMBL7074903 0.90 CTSS (0.39) CTSLCTSKCTSSCTSB
SCHEMBL5364099 0.85 CTSL (0.31) CTSLCTSKCTSSCTSB
SCHEMBL7571642 0.84 CTSL (0.43) CTSLCTSKCTSSCTSB
SCHEMBL4244011 0.80 CTSK (0.40) CTSLCTSKCTSSCTSB
SCHEMBL5362011 0.77 CTSS (0.49) CTSLCTSS
SCHEMBL5361982 0.76 CTSS (0.46) CTSLCTSKCTSSCTSB
SCHEMBL5512887 0.75 CTSC (0.35) CTSLCTSKCTSCCTSSCTSB
SCHEMBL4063005 0.71 CTSC (0.34) CTSLCTSKCTSCCTSSCTSB
SCHEMBL14889661 0.70 CHRNB2 (0.39)
SCHEMBL7946317 0.70 CHRNB2 (0.39)

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 7 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 claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 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