SCHEMBL5319012

SCHEMBL5319012

N#Cc1ccc(CNC(=O)CN2CC3CN(CCOc4ccccc4F)CC(C2)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HTR1A P08908 7/20 0.43
DRD2 P14416 7/20 0.43
HTR7 P34969 6/20 0.43
HTR6 P50406 6/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KCNA5 P22460 3/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5315301 0.96 KCNH2 (0.48) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315946 0.88 KCNH2 (0.51) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5336527 0.88 KCNH2 (0.51) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316328 0.87 KCNH2 (0.55) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316196 0.87 KCNH2 (0.48) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5314900 0.86 KCNA5 (0.55) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315427 0.86 MEN1 (0.47) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316515 0.85 KCNH2 (0.45) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5314840 0.85 HTR1A (0.53) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5336447 0.84 KCNH2 (0.46) KCNH2HTR1ADRD2HTR7HTR6

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