SCHEMBL5319103

SCHEMBL5319103

N#Cc1ccc(OCCCN2CC3CN(CC(=O)NCc4ccccc4)CC(C2)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
KCNA5 P22460 1/20 0.49
MEN1 O00255 5/20 0.47
HRH2 P25021 3/20 0.46
HRH1 P35367 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
CACNA1B Q00975 2/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL5316933 0.96 KCNH2 (0.47) KCNH2KCNA5MEN1HRH2HRH1
SCHEMBL5314900 0.95 KCNA5 (0.55) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5315724 0.91 KCNH2 (0.56) KCNH2HRH2HRH1HRH3CACNA1B
SCHEMBL5318090 0.90 KCNH2 (0.52) KCNH2KCNA5MEN1HRH2HRH1
SCHEMBL5314630 0.89 KCNH2 (0.55) KCNH2KCNA5MEN1HRH2HRH1
SCHEMBL5314570 0.89 HTR1A (0.48) MEN1HRH1HTR1ADRD2HTR7
SCHEMBL5316192 0.88 HTT (0.52) MEN1HTR1ADRD2HTR7HTR6
SCHEMBL5316850 0.88 HTR1A (0.49) KCNA5MEN1HRH1HTR1ADRD2
SCHEMBL5319026 0.88 HTR1A (0.49) KCNA5MEN1HRH1HTR1ADRD2
SCHEMBL5315427 0.87 MEN1 (0.47) KCNH2KCNA5MEN1CACNA1BHTR1A

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