SCHEMBL6413699

SCHEMBL6413699

O=C(NCC1CC1)OC1=NOC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
NAMPT P43490 1/20 0.43
MGLL Q99685 1/20 0.43
EPHX2 P34913 8/20 0.41
HRH3 Q9Y5N1 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CCR5 P51681 1/20 0.38
ENPP2 Q13822 2/20 0.38
ATXN2 Q99700 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6409493 0.90 EPHX2 (0.43) HSD11B1MGLLEPHX2EGLN1
SCHEMBL6413164 0.87 CHRM4 (0.37) NAMPTEPHX2HRH3ENPP2ALDH1A1
SCHEMBL2404620 0.86 NAMPT (0.48) HSD11B1NAMPTMGLLEPHX2HRH3
SCHEMBL6409746 0.85 NAMPT (0.47) HSD11B1NAMPTEPHX2HRH3EGLN1
SCHEMBL6410851 0.84 HSD11B1 (0.47) HSD11B1NAMPTMGLLEPHX2HRH3
SCHEMBL6410763 0.84 GPR183 (0.38) HSD11B1EPHX2
SCHEMBL6433302 0.83 NPC1 (0.43) MGLLPOLB
SCHEMBL6410663 0.78 KMT2A (0.47) MGLLEPHX2
SCHEMBL6411555 0.78 HPGD (0.43) EPHX2POLB
SCHEMBL6410008 0.77 DRD2 (0.39) MGLLEPHX2HTR2B

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