SCHEMBL6410676

SCHEMBL6410676

C=C(C)CN(CC)C(=O)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DPP4 P27487 1/20 0.37
PRCP P42785 2/20 0.37
HCRTR2 O43614 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
EPHX2 P34913 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
EPHX1 P07099 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL2404849 0.87 MEN1 (0.42) MEN1KMT2ADPP4PRCPHCRTR2
SCHEMBL6412295 0.82 MEN1 (0.52) MEN1KMT2ADPP4PRCPEPHX2
SCHEMBL6410109 0.81 MEN1 (0.45) MEN1KMT2APRCPEPHX2CHRM5
SCHEMBL6410060 0.75 PKM (0.50) MEN1KMT2APOLBMAPT
SCHEMBL6410885 0.75 EPHX2 (0.58) MEN1KMT2APRCPEPHX2EPHX1
SCHEMBL6415555 0.75 TRPV1 (0.40) MEN1KMT2AMAPTSMN1; SMN2MMP9
SCHEMBL2579306 0.75 MEN1 (0.41) MEN1KMT2ADPP4PRCPHTR1A
SCHEMBL6410522 0.75 MEN1 (0.53) MEN1KMT2ADPP4PRCPEPHX2
SCHEMBL6851497 0.74 OPRM1 (0.41) MEN1KMT2APRCPCHRM5LIPE
SCHEMBL6410962 0.73 PKM (0.50) MEN1KMT2APOLB

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