SCHEMBL6409891

SCHEMBL6409891

CN(C)S(=O)(=O)N1CCC2(CC1)CC(OC(=O)NCc1ccc(C(F)(F)F)c(F)c1)=NO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
KCNH2 Q12809 2/20 0.35
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TRPV1 Q8NER1 6/20 0.32
OPRM1 P35372 1/20 0.32
CHRNA7 P36544 1/20 0.32
NAMPT P43490 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
EPHX2 P34913 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
SCHEMBL2400830 0.86 P2RX7 (0.40) P2RX7KCNH2PTGER4ALDH1A1PPARG
SCHEMBL6409917 0.82 EPHX2 (0.38) P2RX7ALDH1A1TRPV1EPHX2
SCHEMBL6409805 0.77 NPSR1 (0.41) ALDH1A1EPHX2
SCHEMBL6411131 0.76 MEN1 (0.46) ALDH1A1
SCHEMBL15300243 0.74 P2RX7 (0.41) P2RX7KCNH2PTGER4ALDH1A1PPARG
SCHEMBL6411323 0.73 GAA (0.35) ALDH1A1
SCHEMBL6412732 0.72 KMT2A (0.43)
SCHEMBL6412261 0.72 CYP1A2 (0.43) ALDH1A1
SCHEMBL1457254 0.72 LMNA (0.40) ALDH1A1
SCHEMBL6410763 0.71 GPR183 (0.38) EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed