SCHEMBL8780752

SCHEMBL8780752

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KCNH2 Q12809 2/20 0.40
SLC22A2 O15244 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8780889 0.95 SLC22A2 (0.40) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780859 0.92 SLC22A2 (0.42) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780903 0.92 KCNH2 (0.38) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780787 0.90 SLC22A2 (0.39) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780869 0.88 KCNH2 (0.42) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780879 0.88 KCNH2 (0.38) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780988 0.87 KCNH2 (0.41) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780967 0.85 ADORA1 (0.39) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780915 0.84 KCNH2 (0.57) MAPTKCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780912 0.84 SIGMAR1 (0.47) KCNH2SLC22A2ADRB1SLC6A4SLC47A2

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