SCHEMBL5535795

SCHEMBL5535795

CN(CCOc1ccc(C#N)cc1)C(=O)N(C)CCN1CC2CN(CCCc3ccccc3)CC(C1)O2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.46
HTR2A P28223 2/20 0.46
OPRM1 P35372 2/20 0.46
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
KCNH2 Q12809 2/20 0.45
MEN1 O00255 10/20 0.42
MMP2 P08253 1/20 0.42
HRH2 P25021 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNA5 P22460 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4516248 0.90 HRH1 (0.45) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4512066 0.86 KCNH2 (0.41) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4522763 0.85 KCNH2 (0.46) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4134252 0.84 KCNH2 (0.53) HRH1KCNH2MEN1HRH2HRH3
SCHEMBL4508044 0.82 KCNH2 (0.41) KCNH2MEN1MMP2HRH3KCNA5
SCHEMBL4513184 0.82 MMP2 (0.43) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL1619406 0.81 KCNH2 (0.47) HRH1KCNH2MEN1MMP2HRH2
SCHEMBL5317011 0.81 KCNH2 (0.47) HRH1KCNH2MEN1HRH2HRH3
SCHEMBL4516175 0.81 KCNH2 (0.42) HRH1KCNH2MMP2HRH2HRH3
SCHEMBL4512049 0.80 KCNH2 (0.48) HRH1KCNH2MEN1HRH2HRH3

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-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed