SCHEMBL1619476

SCHEMBL1619476

CN(CCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
HRH2 P25021 14/20 0.46
HRH1 P35367 14/20 0.46
HRH3 Q9Y5N1 14/20 0.46
MEN1 O00255 2/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL1619383 0.96 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4140843 0.87 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4139628 0.84 KCNH2 (0.48) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL2954568 0.84 KCNH2 (0.52) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4134252 0.83 KCNH2 (0.53) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619268 0.83 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL2964384 0.82 KCNH2 (0.56) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL3129914 0.82 KCNH2 (0.54) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL2964375 0.80 KCNH2 (0.54) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1618052 0.80 KCNH2 (0.48) KCNH2HRH2HRH1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US claimed