SCHEMBL4070022

SCHEMBL4070022

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.33
OPRM1 P35372 3/20 0.32
KCNH2 Q12809 3/20 0.32
SIGMAR1 Q99720 3/20 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
SCHEMBL4070033 0.85 HDAC3 (0.32) KMT2ASIGMAR1
SCHEMBL25159789 0.83 GPR119 (0.37) GPR119SIGMAR1
SCHEMBL2400832 0.81 GPR119 (0.37) GPR119KMT2AOPRM1
SCHEMBL4070026 0.80 KDM4E (0.32) KDM4E
SCHEMBL2402380 0.78 GPR119 (0.40) GPR119KDM4EKMT2A
SCHEMBL22057286 0.77 GPR119 (0.35) GPR119KMT2A
SCHEMBL1639199 0.73 GPR119 (0.57) GPR119
SCHEMBL22057287 0.72 OPRM1 (0.36) GPR119KDM4EKMT2AOPRM1
SCHEMBL22057291 0.71 SORT1 (0.34) KDM4E
SCHEMBL2578044 0.70 HDAC3 (0.30)

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