SCHEMBL6409450

SCHEMBL6409450

O=C(NCC1CC1)OC1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.44
RORC P51449 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
CACNA1B Q00975 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
SCHEMBL2399309 0.87 KMT2A (0.47) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL6411436 0.84 GAA (0.50) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL6412732 0.84 KMT2A (0.43) KMT2ACNR1MEN1GAAHTT
SCHEMBL6415534 0.84 HTT (0.42) KMT2AL3MBTL1MEN1GAAHTT
SCHEMBL6415335 0.80 TSHR (0.44) KMT2AMEN1GAAHTTLMNA
SCHEMBL6410663 0.80 KMT2A (0.47) KMT2A
SCHEMBL6409402 0.79 KMT2A (0.42) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL6409493 0.79 EPHX2 (0.43) KMT2AMEN1GAA
SCHEMBL6848470 0.78 KDM4E (0.34) KMT2AL3MBTL1RORCGAAHTT
SCHEMBL6411431 0.77 HTT (0.51) KMT2AL3MBTL1CNR1MEN1GAA

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