SCHEMBL1619360

SCHEMBL1619360

CC(C)(C)N(CCN1CC2CN(CCOc3c(F)cc(C#N)cc3F)CC(C1)O2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 7/20 0.36
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G7 Q13093 1/20 0.31
MAPK14 Q16539 1/20 0.31
KCNA5 P22460 1/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL1619503 0.95 HRH3 (0.44) KCNH2HRH3KDM4EFFAR4ALDH1A1
SCHEMBL1619386 0.92 HRH3 (0.44) KCNH2HRH3KDM4EFFAR4ALDH1A1
SCHEMBL1619062 0.88 HRH3 (0.43) KCNH2HRH3KDM4EALDH1A1TDP1
SCHEMBL1619357 0.84 HRH3 (0.48) KCNH2HRH3KDM4EALDH1A1HTT
SCHEMBL1619395 0.83 HRH3 (0.45) KCNH2HRH3KDM4EALDH1A1HTT
SCHEMBL4667626 0.82 KCNH2 (0.42) KCNH2HRH3KDM4EFFAR4ALDH1A1
SCHEMBL1619052 0.80 HRH3 (0.48) KCNH2HRH3KDM4EALDH1A1HTT
SCHEMBL4128894 0.80 KCNH2 (0.46) KCNH2HRH3KDM4EFFAR4ALDH1A1
SCHEMBL1619682 0.80 KCNH2 (0.45) KCNH2HRH3KDM4EALDH1A1TDP1
SCHEMBL1618052 0.79 KCNH2 (0.48) KCNH2HRH3KDM4EHTTMEN1

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