SCHEMBL6409740

SCHEMBL6409740

O=C(Nc1ccc2ccccc2c1)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.45
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
EPHX2 P34913 2/20 0.44
MAPT P10636 11/20 0.43
LMNA P02545 5/20 0.42
HTT P42858 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 4/20 0.42
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 1/20 0.40
PRCP P42785 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL2402252 0.87 LIPE (0.47) LIPEKMT2AMEN1EPHX2MAPT
SCHEMBL6412295 0.82 MEN1 (0.52) LIPEKMT2AMEN1EPHX2ALDH1A1
SCHEMBL6433020 0.81 KMT2A (0.49) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6410885 0.80 EPHX2 (0.58) LIPEKMT2AMEN1EPHX2LMNA
SCHEMBL6409938 0.79 MAPT (0.56) KMT2AMEN1EPHX2MAPTLMNA
SCHEMBL6410060 0.78 PKM (0.50) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6409921 0.77 TRPV1 (0.48) KMT2AMEN1EPHX2ALDH1A1GAA
SCHEMBL6418389 0.75 MEN1 (0.45) LIPEKMT2AMEN1EPHX2MAPT
SCHEMBL6410522 0.75 MEN1 (0.53) LIPEKMT2AMEN1EPHX2ALDH1A1
SCHEMBL6410109 0.74 MEN1 (0.45) LIPEKMT2AMEN1EPHX2ALDH1A1

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