SCHEMBL4070026

SCHEMBL4070026

CCCN1CCC2(CC1)CC(OC(=O)O)=NO2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
SSTR5 P35346 2/20 0.31
SOAT1 P35610 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
SCHEMBL4066532 0.80 TSHR (0.33)
SCHEMBL4070022 0.80 GPR119 (0.34) KDM4E
SCHEMBL6418227 0.74 SMN1; SMN2 (0.39)
SCHEMBL6414864 0.73 ALDH1A1 (0.56) KDM4E
SCHEMBL6409412 0.73
SCHEMBL6410302 0.70 SMN1; SMN2 (0.58) KDM4E
SCHEMBL6409700 0.70 TSHR (0.47)
SCHEMBL6409449 0.70 CYP2C19 (0.49) KDM4E
SCHEMBL6409750 0.70 HPGD (0.47)
SCHEMBL6410962 0.69 PKM (0.50) KDM4E

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