SCHEMBL6409491

SCHEMBL6409491

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(OC(=O)N(CCc2ccccc2)Cc2ccccc2)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM5 P08912 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6410287 0.91 HSD17B10 (0.45) CRHBPCRHR2CYP2C19GAAPKM
SCHEMBL6410109 0.88 MEN1 (0.45) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL2400746 0.86 CRHBP (0.52) CRHBPCRHR2OPRM1OPRD1CYP2C19
SCHEMBL6410158 0.83 OPRM1 (0.43) CRHBPCRHR2OPRM1OPRD1GAA
SCHEMBL6851497 0.81 OPRM1 (0.41) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL6409449 0.80 CYP2C19 (0.49) CYP2C19GAAPKMMEN1KMT2A
SCHEMBL2400951 0.77 HSD17B10 (0.51) CRHBPCRHR2OPRM1OPRD1CYP2C19
SCHEMBL6411481 0.75 POLB (0.44) CYP2C19GAAPKMMEN1KMT2A
SCHEMBL2405022 0.75 MEN1 (0.46) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL6417720 0.75 ALDH1A1 (0.58) CYP2C19MEN1KMT2APOLBTSHR

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