SCHEMBL6409609

SCHEMBL6409609

O=C(NCCc1ccc(F)cc1)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SCN9A Q15858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.38
EPHX2 P34913 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL6409921 0.90 TRPV1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2401326 0.87 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1SCN9A
SCHEMBL6415335 0.85 TSHR (0.44) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6413110 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6411660 0.83 PKM (0.51) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6412295 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1L3MBTL1SCN9A
SCHEMBL6410060 0.80 PKM (0.50) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL6410885 0.79 EPHX2 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6413457 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1POLBNAMPT
SCHEMBL6409939 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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