SCHEMBL8780929

SCHEMBL8780929

CCCN(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 7/20 0.42
CACNA1F O60840 2/20 0.41
CHRM2 P08172 2/20 0.41
DRD3 P35462 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
ACHE P22303 1/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
SLC6A4 P31645 2/20 0.38
SLC22A2 O15244 1/20 0.38
ADRB1 P08588 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 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
SCHEMBL8780747 0.97 KDM4E (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780864 0.96 KCNH2 (0.44) KCNH2CACNA1FCHRM2DRD3CACNA1D
Fumaric Acid SCHEMBL8780807 0.93 KCNH2 (0.39) KCNH2CACNA1FCHRM2DRD3CACNA1D
Fumaric Acid SCHEMBL8780803 0.93 KCNH2 (0.39) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780885 0.92 HPGD (0.39) KCNH2DRD3SLC6A4SLC22A2ADRB1
SCHEMBL8780780 0.90 KCNH2 (0.42) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780834 0.89 KMT2A (0.39) KCNH2DRD3ALDH1A1HTR2A
SCHEMBL8780863 0.89 KCNH2 (0.41) KCNH2CACNA1FCHRM2DRD3CACNA1D
SCHEMBL8780759 0.88 TRIM24 (0.44) DRD3LMNAHTR2A
SCHEMBL8780894 0.87 KCNH2 (0.44) 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