SCHEMBL6410889

SCHEMBL6410889

O=C(NC1CCCC1)OC1=NOC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
EPHX2 P34913 2/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL2581339 0.86 ALDH1A1 (0.44) MAPTTP53ALDH1A1EPHX2POLB
SCHEMBL6416605 0.79 POLB (0.43) MAPTALDH1A1EPHX2POLBTDP1
SCHEMBL15309174 0.77 ALDH1A1 (0.44) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL6412218 0.74 ALDH1A1 (0.40) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL6409574 0.73 ALDH1A1 (0.40) ALDH1A1EPHX2POLBTDP1
SCHEMBL2401204 0.72 LMNA (0.46) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL4697948 0.72 DRD2 (0.51) MAPTTP53ALDH1A1POLBCTDSP1
SCHEMBL3510744 0.72 ALDH1A1 (0.50) MAPTTP53ALDH1A1EPHX2POLB
SCHEMBL3427781 0.70 MAPT (0.72) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL6411430 0.69 RAB9A (0.47) ALDH1A1EPHX2POLBTDP1LMNA

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