SCHEMBL1619503

SCHEMBL1619503

CC(C)(C)N(CCN1CC2CN(CCCOc3c(F)cc(C#N)cc3F)CC(C1)O2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 5/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
HRH2 P25021 4/20 0.32
HRH1 P35367 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1619386 0.96 HRH3 (0.44) HRH3KCNH2KDM4EHTTFFAR4
SCHEMBL1619360 0.95 KCNH2 (0.39) HRH3KCNH2KDM4EHTTFFAR4
SCHEMBL1619357 0.89 HRH3 (0.48) HRH3KCNH2KDM4EHTTHRH2
SCHEMBL1619052 0.85 HRH3 (0.48) HRH3KCNH2KDM4EHTTHRH2
SCHEMBL1619062 0.84 HRH3 (0.43) HRH3KCNH2KDM4EHTTALDH1A1
SCHEMBL1619395 0.82 HRH3 (0.45) HRH3KCNH2KDM4EHTTALDH1A1
SCHEMBL1618885 0.82 KCNH2 (0.41) HRH3KCNH2KDM4EHRH2HRH1
SCHEMBL1619268 0.81 KCNH2 (0.51) HRH3KCNH2HRH2HRH1MEN1
SCHEMBL4125759 0.80 KCNH2 (0.51) HRH3KCNH2KDM4EHTTFFAR4
SCHEMBL4133428 0.80 KCNH2 (0.49) HRH3KCNH2KDM4EHTTFFAR4

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