SCHEMBL4669237

SCHEMBL4669237

N#Cc1ccc(OCCOCCN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
HRH2 P25021 7/20 0.44
HRH1 P35367 7/20 0.44
HRH3 Q9Y5N1 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 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
SCHEMBL4134193 0.94 KCNH2 (0.53) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4137801 0.93 KCNH2 (0.59) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619409 0.90 KCNH2 (0.54) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4139633 0.89 KCNH2 (0.53) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL3598224 0.89 KCNH2 (0.57) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4669235 0.88 KCNH2 (0.44) KCNH2HRH2HRH1HRH3KDM4E
SCHEMBL4140849 0.88 KCNH2 (0.56) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4668152 0.87 KCNH2 (0.44) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL5314744 0.83 CD274 (0.54) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4669223 0.83 KCNH2 (0.47) KCNH2HRH2HRH1HRH3SMN1; SMN2

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