SCHEMBL6409565

SCHEMBL6409565

O=C(Nc1ccccc1)OC1=NOC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
EPHX2 P34913 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
P2RX7 Q99572 11/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2399685 0.84 SMN1; SMN2 (0.43) GAAEPHX2JAK2JAK1P2RX7
SCHEMBL6410008 0.83 DRD2 (0.39) GAAEPHX2P2RX7AURKAAURKB
SCHEMBL6411430 0.82 RAB9A (0.47) GAAEPHX2JAK2JAK1MEN1
SCHEMBL6410146 0.80 TSHR (0.43) EPHX2CYP3A4
SCHEMBL6409627 0.79 HPGD (0.40) EPHX2P2RX7AURKAAURKBNPC1
SCHEMBL6409773 0.77 MAPT (0.42) JAK2JAK1SMN1; SMN2RAB9ACYP3A4
SCHEMBL6411043 0.75 SMN1; SMN2 (0.41) EPHX2JAK2JAK1SMN1; SMN2RAB9A
SCHEMBL6410177 0.73 POLB (0.38) SMN1; SMN2AURKAAURKB
SCHEMBL2400917 0.71 RAB9A (0.49) GAAEPHX2JAK2JAK1P2RX7
SCHEMBL2402460 0.70 ITGB3 (0.45) GAAP2RX7KMT2A

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