SCHEMBL4262148

SCHEMBL4262148

COc1ccc([N+](=O)[O-])cc1CN1CC2(CCN(OC(=O)NC(C)c3cccc4ccccc34)CC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNKP Q96T60 3/20 0.39
TACR1 P25103 1/20 0.39
HSD11B1 P28845 2/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KCNJ1 P48048 1/20 0.35
SSTR5 P35346 1/20 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
SCHEMBL4263514 0.80 HSD11B1 (0.40) HSD11B1KDM4EALDH1A1LMNA
SCHEMBL4264870 0.78 MAPK1 (0.38) MEN1KMT2AKDM4EALDH1A1KCNJ1
SCHEMBL4263536 0.77 KCNJ1 (0.42) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5013447 0.77 PNKP (0.41) PNKPTACR1EDNRAMEN1KMT2A
SCHEMBL4267976 0.77 HSD11B1 (0.40) HSD11B1LMNA
SCHEMBL4258668 0.77 KCNJ1 (0.39) TACR1MEN1KMT2AALDH1A1LMNA
SCHEMBL1086535 0.76 KCNJ1 (0.47) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1086474 0.75 ALDH1A1 (0.44) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1086473 0.75 MAPK1 (0.48) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1086417 0.74 ALDH1A1 (0.42) TACR1MEN1KMT2AKDM4EALDH1A1

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-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