SCHEMBL5336447

SCHEMBL5336447

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
AKR1B1 P15121 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 7/20 0.38
DRD2 P14416 7/20 0.38
HTR7 P34969 6/20 0.38
HTR6 P50406 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
CCR5 P51681 1/20 0.36
EPHX2 P34913 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
SCHEMBL5316196 0.93 KCNH2 (0.48) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5316328 0.92 KCNH2 (0.55) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5316515 0.89 KCNH2 (0.45) KCNH2HRH3SMN1; SMN2HTR1ADRD2
SCHEMBL5315301 0.88 KCNH2 (0.48) KCNH2POLBHTR1ADRD2HTR7
SCHEMBL5316611 0.85 KCNH2 (0.51) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5317399 0.85 KCNH2 (0.46) KCNH2HRH3
SCHEMBL5319012 0.84 KCNH2 (0.43) KCNH2POLBHTR1ADRD2HTR7
SCHEMBL5315724 0.84 KCNH2 (0.56) KCNH2HRH3HTR1ADRD2HTR7
SCHEMBL5318102 0.83 KCNH2 (0.52) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5315427 0.82 MEN1 (0.47) KCNH2POLBHTR1ADRD2HTR7

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