SCHEMBL6984370

SCHEMBL6984370

N#Cc1ccc(C(CCCN2CC3CC(C2)CN(C(=O)O)C3)Oc2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
SLC6A4 P31645 2/20 0.44
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
HRH2 P25021 8/20 0.38
HRH1 P35367 8/20 0.38
CACNA1F O60840 2/20 0.38
HTR1A P08908 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
ADRA1D P25100 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 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
SCHEMBL6740792 0.87 SLC6A4 (0.41) HRH3SLC6A4HRH2HRH1CACNA1F
SCHEMBL6977224 0.84 HRH3 (0.40) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL6620971 0.82 HRH1 (0.41) HRH3GRIN1GRIN2BHRH2HRH1
SCHEMBL6978560 0.81 HRH1 (0.38) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL6621387 0.80 HRH1 (0.37) HRH3SLC6A4HRH2HRH1CACNA1F
SCHEMBL6093345 0.77 HRH3 (0.42) HRH3SLC6A4HRH2HRH1CACNA1F
SCHEMBL6992027 0.77 HRH3 (0.39) HRH3SLC6A4HRH2HRH1ADRA1D
SCHEMBL7250863 0.76 HRH3 (0.46) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL6739004 0.76 POLB (0.40) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL6733555 0.76 PDE4B (0.39) HRH3SLC6A4

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-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed
US-6465481-B1 EXHIBIT ELECTROPHYSIOLOGICAL ACTIVITY; MAY BE MORE POTENT AND PRODUCE FEWER SIDE EFFECTS INCLUDING LOWER INCIDENCE OF PROARRHYTHMIAS SUCH AS TORSADES DE POINTES ASTRAZENECA AB (SE) 2002-10-15 US disclosed