SCHEMBL5534239

SCHEMBL5534239

CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(CCOC(N)=O)CC(C1)O2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
MMP2 P08253 3/20 0.41
KCNA5 P22460 4/20 0.39
MMP3 P08254 1/20 0.39
HRH2 P25021 9/20 0.38
HRH1 P35367 9/20 0.38
HRH3 Q9Y5N1 6/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL5533438 0.88 HTR1A (0.38) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4513651 0.87 KCNH2 (0.45) KCNH2KCNA5HRH2HRH1HRH3
SCHEMBL4515390 0.85 KCNH2 (0.45) KCNH2MMP2MMP3HRH2HRH1
SCHEMBL4518587 0.85 KCNH2 (0.45) KCNH2MMP2MMP3HRH2HRH1
SCHEMBL4669159 0.85 KCNH2 (0.49) KCNH2MMP2KCNA5MMP3HRH2
SCHEMBL4516621 0.84 KCNH2 (0.50) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4507239 0.84 KCNH2 (0.43) KCNH2MMP2KCNA5MMP3HRH2
SCHEMBL4509459 0.84 HRH3 (0.48) KCNH2MMP2MMP3HRH2HRH1
SCHEMBL4516179 0.83 KCNH2 (0.47) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4514332 0.83 KCNH2 (0.42) KCNH2HRH2HRH1HRH3

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-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed