SCHEMBL6411296

SCHEMBL6411296

CN(Cc1cccnc1)C(=O)OC1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
CACNA1B Q00975 2/20 0.39
HSD11B1 P28845 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 1/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL2401324 0.88 KDM4E (0.43) KDM4EGAAKMT2ANAMPTMEN1
SCHEMBL6410069 0.82 TDP1 (0.42) GAAKMT2ANAMPTMEN1LMNA
SCHEMBL6411436 0.80 GAA (0.50) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL6412732 0.75 KMT2A (0.43) GAAKMT2AMEN1CNR1
SCHEMBL6409450 0.74 KMT2A (0.46) GAAKMT2AMEN1L3MBTL1LMNA
SCHEMBL2401322 0.73 NAMPT (0.44) KDM4EGAAKMT2ANAMPTL3MBTL1
SCHEMBL6411431 0.73 HTT (0.51) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL6415534 0.72 HTT (0.42) GAAKMT2AMEN1L3MBTL1LMNA
SCHEMBL6415335 0.72 TSHR (0.44) GAAKMT2AMEN1LMNACACNA1B
SCHEMBL6409402 0.71 KMT2A (0.42) GAAKMT2AMEN1L3MBTL1LMNA

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