SCHEMBL6409921

SCHEMBL6409921

O=C(NCCc1ccc(Cl)c(Cl)c1)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PRCP P42785 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.37
RPA1 P27694 1/20 0.37
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL6409939 0.88 ALDH1A1 (0.44) SMN1; SMN2GAAPOLBKMT2AMEN1
SCHEMBL2399340 0.88 TRPV1 (0.54) TRPV1SMN1; SMN2GAAPOLBKMT2A
SCHEMBL6410060 0.80 PKM (0.50) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL6415335 0.80 TSHR (0.44) SMN1; SMN2GAAKMT2AMEN1ALDH1A1
SCHEMBL6412295 0.80 MEN1 (0.52) SMN1; SMN2KMT2AMEN1PRCPALDH1A1
SCHEMBL6411660 0.78 PKM (0.51) SMN1; SMN2GAAPOLBKMT2AMEN1
SCHEMBL2401326 0.78 ALDH1A1 (0.41) SMN1; SMN2GAAPOLBKMT2AMEN1
SCHEMBL6410885 0.77 EPHX2 (0.58) SMN1; SMN2GAAKMT2AMEN1PRCP
SCHEMBL6409740 0.77 LIPE (0.45) SMN1; SMN2GAAPOLBKMT2AMEN1
SCHEMBL6413457 0.75 MEN1 (0.44) POLBKMT2AMEN1ALDH1A1TSHR

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