SCHEMBL8780894

SCHEMBL8780894

CCN(CCc1ccc(NS(C)(=O)=O)cc1)CCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
CACNA1F O60840 2/20 0.44
CHRM2 P08172 2/20 0.44
DRD3 P35462 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
ACHE P22303 1/20 0.44
AGTR1 P30556 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 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
SCHEMBL8780863 0.95 KCNH2 (0.41) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780780 0.91 KCNH2 (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780929 0.87 KCNH2 (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780864 0.87 KCNH2 (0.44) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780777 0.87 KCNH2 (0.48) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780747 0.84 KDM4E (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780936 0.83 KCNH2 (0.54) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780876 0.82 NPC1 (0.48) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780896 0.82 KCNH2 (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL9628220 0.82 HPGD (0.58) KCNH2CACNA1FCHRM2DRD3CACNA1D

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-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed