SCHEMBL8780879

SCHEMBL8780879

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
SLC22A2 O15244 1/20 0.38
ADRB1 P08588 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
CYP2D6 P10635 3/20 0.34
MCHR1 Q99705 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP19A1 P11511 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8780752 0.88 MAPT (0.45) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780889 0.88 SLC22A2 (0.40) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780787 0.87 SLC22A2 (0.39) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780903 0.86 KCNH2 (0.38) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780887 0.85 KCNH2 (0.55) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780859 0.84 SLC22A2 (0.42) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780869 0.83 KCNH2 (0.42) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780988 0.82 KCNH2 (0.41) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780912 0.82 SIGMAR1 (0.47) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780776 0.80 MAOA (0.37) KCNH2CYP2D6MCHR1KMT2AMAPT

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