SCHEMBL4669223

SCHEMBL4669223

N#Cc1ccc(OCCOCCN2CC3CN(CCOC(N)=O)CC(C2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
KCNA5 P22460 2/20 0.44
HRH3 Q9Y5N1 13/20 0.43
HRH2 P25021 11/20 0.43
HRH1 P35367 11/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4669141 0.87 OPRM1 (0.44) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL4668117 0.86 KCNH2 (0.40) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL4669237 0.83 KCNH2 (0.52) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL5534239 0.83 KCNH2 (0.43) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL2966798 0.81 KCNH2 (0.53) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL2954545 0.81 KCNH2 (0.48) KCNH2HRH3HRH2HRH1
SCHEMBL1619682 0.79 KCNH2 (0.45) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL2968099 0.79 KCNA5 (0.54) KCNH2KCNA5HRH3HRH2HRH1
SCHEMBL3129013 0.78 KCNH2 (0.55) KCNH2HRH3HRH2HRH1
SCHEMBL3119483 0.78 KCNH2 (0.52) KCNH2KCNA5HRH3HRH2HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO claimed