SCHEMBL7471272

SCHEMBL7471272

CC(COc1ccc(C#N)cc1N1CC2CC(CN(Cc3ccccc3)C2)C1)NS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
CHRM2 P08172 4/20 0.36
THRB P10828 1/20 0.36
NR3C1 P04150 1/20 0.35
CHRM4 P08173 1/20 0.35
SCN7A Q01118 1/20 0.34
SLC6A9 P48067 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.33

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
SCHEMBL6738290 0.76 THRB (0.43) DRD2DRD3THRBKCNH2
SCHEMBL7471276 0.71 HRH3 (0.41) DRD2DRD3THRBKCNH2
SCHEMBL7036576 0.65 KMT2A (0.57) KCNH2
SCHEMBL10410778 0.65 FUCA1 (0.42) DRD2CHRM2CHRM4CHRM5
SCHEMBL14559918 0.64 HTR1A (0.51) DRD2DRD3
SCHEMBL14559976 0.62 DRD2 (0.49) DRD2DRD3
SCHEMBL2955795 0.62 FUCA1 (0.60) CHRM2CHRM4CHRM5
SCHEMBL9521157 0.62 ALDH1A1 (0.54) CHRM4
SCHEMBL6621574 0.61 KMT2A (0.41) KCNH2
SCHEMBL7032692 0.60 CTSK (0.50) CHRM2CHRM4CHRM5

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-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed