SCHEMBL4271016

SCHEMBL4271016

CC(C)(C)OC(=O)ON1CCC2(CC1)CN(Cc1cccc(Br)c1)C(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
POLB P06746 1/20 0.36
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRM2 Q14416 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HSD11B1 P28845 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL4264686 0.88 TACR2 (0.42) SIRT2SIRT1TACR2TACR1GRM2
SCHEMBL1086239 0.87 GPR119 (0.43) MEN1KMT2A
SCHEMBL4260775 0.85 PPIA (0.39) GRIN1GRIN2BGRM2HSD11B1MEN1
SCHEMBL4256335 0.80 SIRT2 (0.42) SIRT2SIRT1TACR2TACR1KDM4E
SCHEMBL1086125 0.79 KDM4E (0.45) SIRT2SIRT1TACR2TACR1KDM4E
SCHEMBL1086487 0.78 SIRT2 (0.42) SIRT2SIRT1TACR2TACR1KDM4E
SCHEMBL4271658 0.77 TSHR (0.39) GRM2MEN1KMT2A
SCHEMBL4266286 0.77 TACR2 (0.41) TACR2TACR1MEN1KMT2A
SCHEMBL1086488 0.76 KDM4E (0.42) SIRT2SIRT1TACR2TACR1KDM4E
SCHEMBL1086244 0.76 NPC1 (0.42) SIRT2SIRT1POLBTACR2TACR1

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 3 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 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