SCHEMBL4263536

SCHEMBL4263536

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.42
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
TACR1 P25103 1/20 0.38
GNRHR P30968 2/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 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
SCHEMBL1087115 0.88 KCNJ1 (0.44) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086535 0.84 KCNJ1 (0.47) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086474 0.83 ALDH1A1 (0.44) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086475 0.81 ALDH1A1 (0.48) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL4258668 0.80 KCNJ1 (0.39) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086032 0.79 ALDH1A1 (0.41) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086473 0.79 MAPK1 (0.48) KCNJ1ALDH1A1SMN1; SMN2TACR1KMT2A
SCHEMBL1086511 0.79 HTT (0.47) KCNJ1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1086856 0.78 ALDH1A1 (0.45) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086417 0.78 ALDH1A1 (0.42) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1

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