SCHEMBL5316196

SCHEMBL5316196

N#Cc1ccc(CNC(=O)CN2CC3CN(CCCOc4ccc(C#N)cc4F)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 3/20 0.44
HTR1A P08908 10/20 0.40
DRD2 P14416 10/20 0.40
HTR7 P34969 8/20 0.40
HTR6 P50406 8/20 0.40
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2A P28223 1/20 0.37
HTR5A P47898 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 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
SCHEMBL5316515 0.95 KCNH2 (0.45) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5316328 0.95 KCNH2 (0.55) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5336447 0.93 KCNH2 (0.46) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5315301 0.91 KCNH2 (0.48) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5317399 0.91 KCNH2 (0.46) KCNH2HRH3USP30HRH2HRH1
SCHEMBL5319012 0.87 KCNH2 (0.43) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315724 0.87 KCNH2 (0.56) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5318102 0.86 KCNH2 (0.52) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5315427 0.85 MEN1 (0.47) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316611 0.85 KCNH2 (0.51) KCNH2HRH3HTR1ADRD2HTR7

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 claimed