SCHEMBL6410109

SCHEMBL6410109

O=C(OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CHRM5 P08912 1/20 0.40
PRCP P42785 1/20 0.39
LIPE Q05469 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.37
DAGLA Q9Y4D2 2/20 0.37
DAGLB Q8NCG7 1/20 0.37
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6851497 0.92 OPRM1 (0.41) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL6409491 0.88 CRHBP (0.48) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL2405022 0.88 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL6412295 0.82 MEN1 (0.52) MEN1KMT2APRCPLIPEEPHX2
SCHEMBL6410676 0.81 MEN1 (0.41) MEN1KMT2ACHRM5PRCPLIPE
SCHEMBL6410158 0.80 OPRM1 (0.43) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL6410287 0.80 HSD17B10 (0.45) MEN1KMT2ACRHBPCRHR2CHRM5
SCHEMBL6415555 0.77 TRPV1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL6410060 0.76 PKM (0.50) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2402061 0.76 KMT2A (0.45) MEN1KMT2AOPRM1PRCPLIPE

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