SCHEMBL6410443

SCHEMBL6410443

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(OC(=O)NC2CCCC2OCc2ccccc2)=NO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGES O14684 3/20 0.39
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
KCNA5 P22460 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
KLK7 P49862 1/20 0.37
MERTK Q12866 2/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL6409613 0.93 KCNA5 (0.48) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6411302 0.93 P2RX7 (0.40) MEN1KMT2APTGESPTGS2ALDH1A1
SCHEMBL2401891 0.88 MEN1 (0.42) MEN1KMT2APTGESPTGS2ALDH1A1
SCHEMBL6411720 0.87 P2RX7 (0.40) MEN1KMT2APTGESPTGS2ALDH1A1
SCHEMBL6411506 0.87 P2RX7 (0.41) PTGESPTGS2ALDH1A1MAPTP2RX7
SCHEMBL6409402 0.87 KMT2A (0.42) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6413448 0.86 ALDH1A1 (0.42) MEN1KMT2APTGESPTGS2ALDH1A1
SCHEMBL6410884 0.85 LMNA (0.44) PTGESPTGS2LMNAP2RX7SMN1; SMN2
SCHEMBL6411879 0.81 EPHX2 (0.43) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL2403325 0.81 KCNA5 (0.51) MEN1KMT2AALDH1A1LMNAKCNA5

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 6 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-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 claimed
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 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