SCHEMBL4258713

SCHEMBL4258713

Cc1cccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccc(C(C)(C)C)cc2)C(=O)O3)c1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
HSD11B1 P28845 4/20 0.38
NR3C1 P04150 5/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4265188 0.84 MAPT (0.43) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL1086223 0.84 HSD11B1 (0.50) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL1086549 0.83 GAA (0.47) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL1086202 0.76 TACR1 (0.44) MEN1ALDH1A1KMT2AGRIN1GRIN2B
SCHEMBL1086619 0.74 ALDH1A1 (0.46) MEN1ALDH1A1KMT2AGRIN1GRIN2B
SCHEMBL4498487 0.73 GRM2 (0.41) GRIN1GRIN2BHSD11B1
SCHEMBL1086724 0.73 NR3C1 (0.41) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL4499411 0.72 TACR2 (0.46) ALDH1A1GAAPKMHTT
SCHEMBL1086822 0.72 ALDH1A1 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL1086683 0.71 PKM (0.51) MAPTMEN1ALDH1A1KMT2AGAA

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-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed