SCHEMBL6409387

SCHEMBL6409387

COc1cccc(CN2CCC(NC(=O)OC3=NOC4(CCN(S(=O)(=O)c5cc(Cl)ccc5Cl)CC4)C3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
MCHR1 Q99705 7/20 0.43
DRD5 P21918 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
NR2F2 P24468 1/20 0.41
CCR2 P41597 1/20 0.40
CCR8 P51685 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
SCHEMBL2400718 0.89 DRD4 (0.48) SIGMAR1MCHR1DRD5DRD4DRD2
SCHEMBL6432208 0.77 MCHR1 (0.45) SIGMAR1MCHR1
SCHEMBL6410171 0.74 L3MBTL1 (0.44)
SCHEMBL6410678 0.73 DRD4 (0.48) SIGMAR1DRD4DRD2HTR2A
SCHEMBL6417412 0.73 ATM (0.51)
SCHEMBL6410158 0.70 OPRM1 (0.43)
SCHEMBL6411272 0.70 GAA (0.48)
SCHEMBL6409954 0.70 ADRB2 (0.42)
SCHEMBL29725665 0.69 DRD4 (0.60) SIGMAR1MCHR1DRD5DRD4DRD2
SCHEMBL6410069 0.69 TDP1 (0.42)

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