SCHEMBL4669141

SCHEMBL4669141

N#Cc1ccc(CCOCCN2CC3CN(CCOC(N)=O)CC(C2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
HTR1A P08908 4/20 0.44
HRH1 P35367 4/20 0.44
DRD4 P21917 3/20 0.44
HTR2A P28223 3/20 0.44
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
HRH2 P25021 3/20 0.41
CACNA1F O60840 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CACNA1D Q01668 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CACNA1S Q13698 2/20 0.41

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
SCHEMBL4668117 0.90 KCNH2 (0.40) OPRM1HTR1AHRH1DRD4HTR2A
SCHEMBL4669223 0.87 KCNH2 (0.47) HRH1HRH2KCNH2KCNA5HRH3
SCHEMBL4669235 0.83 KCNH2 (0.44) OPRM1HTR1AHRH1DRD4HTR2A
SCHEMBL5533438 0.82 HTR1A (0.38) OPRM1HTR1AHRH1DRD4HTR2A
SCHEMBL1619372 0.79 HTR1A (0.39) OPRM1HTR1AHRH1DRD4HTR2A
SCHEMBL2967582 0.75 KCNH2 (0.52) HRH1HRH2KCNH2KCNJ1KCNA5
SCHEMBL5534239 0.75 KCNH2 (0.43) HRH1HRH2KCNH2KCNA5HRH3
SCHEMBL5319731 0.74 KCNH2 (0.44) DRD2DRD3KCNH2KCNJ1L3MBTL1
SCHEMBL4668152 0.74 KCNH2 (0.44) OPRM1HTR1AHRH1DRD4HTR2A
SCHEMBL2962586 0.73 HTR1A (0.47) OPRM1HTR1AHRH1DRD4HTR2A

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
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO claimed