SCHEMBL4667626

SCHEMBL4667626

N#Cc1cc(F)c(OCCN2CC3CN(C(=O)O)CC(C2)O3)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 7/20 0.39
HRH3 Q9Y5N1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
KCNA5 P22460 3/20 0.36
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL4128011 0.87 KCNH2 (0.47) KCNH2KDM4EHRH3FFAR4ALDH1A1
SCHEMBL4128894 0.86 KCNH2 (0.46) KCNH2KDM4EHRH3FFAR4KCNA5
SCHEMBL4133428 0.83 KCNH2 (0.49) KCNH2KDM4EHRH3FFAR4ALDH1A1
SCHEMBL1619360 0.82 KCNH2 (0.39) KCNH2KDM4EHRH3FFAR4KCNA5
SCHEMBL2968099 0.82 KCNA5 (0.54) KCNH2KDM4EHRH3KCNA5ALDH1A1
SCHEMBL4669350 0.81 KCNH2 (0.49) KCNH2KDM4EHRH3ALDH1A1HTT
SCHEMBL4125759 0.81 KCNH2 (0.51) KCNH2KDM4EHRH3FFAR4ALDH1A1
SCHEMBL4418109 0.79 KDM4E (0.41) KCNH2KDM4EKCNA5ALDH1A1TDP1
SCHEMBL1619386 0.78 HRH3 (0.44) KCNH2KDM4EHRH3FFAR4ALDH1A1
SCHEMBL1619503 0.78 HRH3 (0.44) KCNH2KDM4EHRH3FFAR4ALDH1A1

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 disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO disclosed