SCHEMBL6415534

SCHEMBL6415534

O=C(NCCOc1ccccc1)OC1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CACNA1B Q00975 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL2402766 0.88 HTT (0.42) HTTL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL6409450 0.84 KMT2A (0.46) HTTL3MBTL1KMT2ALMNAGAA
SCHEMBL6411436 0.83 GAA (0.50) HTTL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL6412732 0.81 KMT2A (0.43) HTTKMT2AGAAMAPTMEN1
SCHEMBL6415335 0.81 TSHR (0.44) HTTKMT2ALMNAALDH1A1GAA
SCHEMBL6409402 0.77 KMT2A (0.42) L3MBTL1KMT2ALMNAALDH1A1GAA
SCHEMBL6409957 0.77 KMT2A (0.45) L3MBTL1KMT2AALDH1A1GAAMAPT
SCHEMBL6411431 0.76 HTT (0.51) HTTL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL6410801 0.75 KMT2A (0.48) L3MBTL1KMT2ALMNAALDH1A1GAA
SCHEMBL6413110 0.74 ALDH1A1 (0.44) L3MBTL1KMT2ALMNAALDH1A1GAA

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 4 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-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