SCHEMBL6201460

SCHEMBL6201460

CC(=O)N1CCN(CCOC(=O)N2CC3CN(CCCS(=O)(=O)c4ccc(C#N)cc4)CC3C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.48
HTR1A P08908 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 2/20 0.48
OPRM1 P35372 2/20 0.48
HRH2 P25021 9/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD3 P35462 2/20 0.43
CACNA1F O60840 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
CACNA1D Q01668 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
SCHEMBL6098033 0.90 THRB (0.44) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL5965740 0.89 HRH1 (0.44) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6095096 0.88 EPHX2 (0.46) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6096906 0.86 HRH1 (0.46) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093051 0.86 HRH1 (0.49) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093974 0.85 HRH1 (0.43) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6096247 0.85 HRH1 (0.57) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6092576 0.84 HRH1 (0.47) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6990862 0.82 THRB (0.43) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093983 0.81 ADAM17 (0.40) HRH1HTR1ADRD4HTR2AOPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO disclosed