SCHEMBL4263514

SCHEMBL4263514

CC(NC(=O)ON1CCC2(CC1)CN(Cc1ccccc1C(F)(F)F)C(=O)O2)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
HDAC3 O15379 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC11 Q96DB2 1/20 0.36
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
GPR139 Q6DWJ6 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4267976 0.88 HSD11B1 (0.40) HSD11B1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL4262148 0.80 PNKP (0.39) HSD11B1LMNAKDM4EALDH1A1
SCHEMBL4258527 0.77 MEN1 (0.42) HDAC11LMNAGAAKDM4EALDH1A1
SCHEMBL4272821 0.77 TACR2 (0.40) HDAC11LMNASIRT2SIRT1KDM4E
SCHEMBL4263224 0.73 CTSK (0.41) HSD11B1
SCHEMBL1086623 0.73 SIRT2 (0.44) HDAC11GAASIRT2SIRT1KDM4E
SCHEMBL1086334 0.72 NPSR1 (0.41) CYP2C9GAAKDM4EALDH1A1
SCHEMBL1086455 0.69 ALDH1A1 (0.45) HDAC11LMNAGAASIRT2SIRT1
SCHEMBL1086181 0.69 KDM4E (0.43) HDAC11LMNAGAASIRT2SIRT1
SCHEMBL1086207 0.68 EPHX2 (0.45) HDAC11LMNASIRT2SIRT1KDM4E

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