SCHEMBL6620971

SCHEMBL6620971

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.41
HRH2 P25021 5/20 0.41
DRD3 P35462 4/20 0.41
HTR2A P28223 4/20 0.41
DRD2 P14416 3/20 0.41
HTR1A P08908 3/20 0.41
DRD4 P21917 3/20 0.41
OPRM1 P35372 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
HTR7 P34969 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR6 P50406 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
SCHEMBL6317205 0.88 GRIN2B (0.51) GRIN1GRIN2BF2RALDH1A1KDM4E
SCHEMBL6739016 0.85 FAAH (0.44) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6620819 0.84 GRIN2B (0.43) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6986222 0.84 GPR119 (0.42) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL7957186 0.82 HTR1A (0.47) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6984370 0.82 HRH3 (0.44) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6623202 0.81 CCR3 (0.42) HRH1HRH2HTR2AHTR1ADRD4
SCHEMBL7948923 0.81 KCNH2 (0.52) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6621387 0.80 HRH1 (0.37) HRH1HRH2DRD3HTR2ADRD2
SCHEMBL6316829 0.80 GRIN1 (0.38) HRH1HRH2DRD3HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
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
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed