SCHEMBL5316611

SCHEMBL5316611

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
ATF4 P18848 4/20 0.46
POLB P06746 1/20 0.41
HRH2 P25021 6/20 0.40
HRH1 P35367 6/20 0.40
HRH3 Q9Y5N1 3/20 0.40
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 0.39
KCNA5 P22460 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 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
SCHEMBL5318102 0.91 KCNH2 (0.52) KCNH2POLBHRH2HRH1HRH3
SCHEMBL5315724 0.89 KCNH2 (0.56) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5314598 0.87 KCNH2 (0.53) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5336447 0.85 KCNH2 (0.46) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5316933 0.85 KCNH2 (0.47) KCNH2POLBHRH2HRH1HRH3
SCHEMBL5319103 0.85 KCNH2 (0.49) KCNH2HRH2HRH1HRH3HTR1A
SCHEMBL5316196 0.85 KCNH2 (0.48) KCNH2POLBHRH2HRH1HRH3
SCHEMBL5336527 0.85 KCNH2 (0.51) KCNH2POLBHTR1ADRD2HTR7
SCHEMBL5315946 0.85 KCNH2 (0.51) KCNH2POLBHTR1ADRD2HTR7
SCHEMBL5314630 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 2 patents. 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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed