SCHEMBL5318102

SCHEMBL5318102

N#Cc1ccc(CNC(=O)CN2CC3CN(CCCOc4ccc(C#N)c(F)c4)CC(C2)O3)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
HRH2 P25021 8/20 0.41
HRH1 P35367 8/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 3/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1H O95180 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
KCNA5 P22460 2/20 0.38
POLB P06746 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL5316611 0.91 KCNH2 (0.51) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5315724 0.90 KCNH2 (0.56) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5314598 0.88 KCNH2 (0.53) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5316933 0.86 KCNH2 (0.47) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5319103 0.86 KCNH2 (0.49) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5316196 0.86 KCNH2 (0.48) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5315946 0.85 KCNH2 (0.51) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5336527 0.85 KCNH2 (0.51) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5314630 0.85 KCNH2 (0.55) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5316328 0.84 KCNH2 (0.55) KCNH2HRH2HRH1HRH3HTR1A

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed