SCHEMBL6410885

SCHEMBL6410885

O=C(NC1CCCCCCC1)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.58
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRCP P42785 1/20 0.41
LIPE Q05469 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2399263 0.86 EPHX2 (0.60) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6412295 0.84 MEN1 (0.52) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6409740 0.80 LIPE (0.45) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6409921 0.77 TRPV1 (0.48) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL6410060 0.77 PKM (0.50) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL6410522 0.76 MEN1 (0.53) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6410676 0.75 MEN1 (0.41) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL6411272 0.74 GAA (0.48) EPHX2ALDH1A1MEN1KMT2AGAA
SCHEMBL6410109 0.73 MEN1 (0.45) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL6416071 0.72 MEN1 (0.44) EPHX2EPHX1ALDH1A1MEN1KMT2A

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