SCHEMBL1618052

SCHEMBL1618052

CC(C)(C)N(CCCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH2 P25021 11/20 0.44
HRH1 P35367 11/20 0.44
HRH3 Q9Y5N1 10/20 0.44
MEN1 O00255 2/20 0.43
KCNA5 P22460 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 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
SCHEMBL1619268 0.97 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619682 0.91 KCNH2 (0.45) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619296 0.87 KCNH2 (0.60) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619299 0.87 KCNH2 (0.60) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4139628 0.87 KCNH2 (0.48) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619395 0.87 HRH3 (0.45) KCNH2HRH3KDM4EHTT
SCHEMBL1619584 0.84 KCNH2 (0.41) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4507239 0.84 KCNH2 (0.43) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL5013138 0.84 MMP2 (0.41) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4140843 0.84 KCNH2 (0.51) 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 disclosed