SCHEMBL6409543

SCHEMBL6409543

CCOC(=O)ON1CCC(NC(=O)C2=NOC3(CCN(C(=O)C4CC4c4ccccc4)CC3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
EPHX2 P34913 1/20 0.36
KDM1A O60341 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
SCHEMBL2400786 0.91 KDM4E (0.47) HRH3KDM4EALDH1A1HSD17B10TP53
SCHEMBL15309172 0.85 SIGMAR1 (0.44) HRH3ARHPGDSIGMAR1EPHX2
SCHEMBL6411672 0.81 L3MBTL1 (0.37) KDM4EALDH1A1HSD17B10TP53L3MBTL1
SCHEMBL6411301 0.80 SMN1; SMN2 (0.37) KDM4EALDH1A1HSD17B10SMN1; SMN2EPHX2
SCHEMBL6410853 0.78 SMN1; SMN2 (0.41) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6410200 0.73 KDM4E (0.44) KDM4EALDH1A1HSD17B10L3MBTL1KMT2A
SCHEMBL6412521 0.71 EPHX2 (0.47) KDM4EALDH1A1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL2402983 0.71 L3MBTL1 (0.46) KDM4EALDH1A1HSD17B10TP53L3MBTL1
SCHEMBL2400257 0.70 PLG (0.45) KDM4EALDH1A1HSD17B10TP53L3MBTL1
SCHEMBL2399891 0.69 SMN1; SMN2 (0.49) KDM4EALDH1A1HSD17B10L3MBTL1MEN1

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