SCHEMBL8780896

SCHEMBL8780896

CC(C)N(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
CACNA1F O60840 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
AGTR1 P30556 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
KAT2B Q92831 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL8780936 0.87 KCNH2 (0.54) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780849 0.87 KCNH2 (0.47) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780864 0.84 KCNH2 (0.44) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780929 0.84 KCNH2 (0.42) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780780 0.84 KCNH2 (0.42) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780857 0.84 ALDH1A1 (0.34) KCNH2ALDH1A1SMN1; SMN2RXFP1CYP3A4
SCHEMBL8780747 0.83 KDM4E (0.42) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780894 0.82 KCNH2 (0.44) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8780856 0.81 GRIN1 (0.50) KCNH2ALDH1A1KDM4ELMNAHPGD
SCHEMBL8780863 0.81 KCNH2 (0.41) KCNH2CACNA1FCHRM2ACHEAGTR1

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