SCHEMBL4258668

SCHEMBL4258668

COc1ccc([N+](=O)[O-])cc1CN1CC2(CCN(OC(=O)Nc3cc(F)ccc3F)CC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.39
ALDH1A1 P00352 5/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 2/20 0.36
WDR5 P61964 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4264870 0.81 MAPK1 (0.38) KCNJ1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4263536 0.80 KCNJ1 (0.42) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1086535 0.79 KCNJ1 (0.47) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1086474 0.78 ALDH1A1 (0.44) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4263596 0.77 TACR2 (0.38) KMT2ASMN1; SMN2MAPTTACR1MEN1
SCHEMBL4262148 0.77 PNKP (0.39) KCNJ1ALDH1A1KMT2ALMNATACR1
SCHEMBL1086475 0.76 ALDH1A1 (0.48) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4266286 0.76 TACR2 (0.41) KMT2ATACR1MEN1
SCHEMBL1087115 0.75 KCNJ1 (0.44) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1086032 0.75 ALDH1A1 (0.41) KCNJ1ALDH1A1KMT2ASMN1; SMN2LMNA

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