SCHEMBL8780903

SCHEMBL8780903

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
SLC6A4 P31645 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 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
ADORA1 P30542 1/20 0.38
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8780869 0.96 KCNH2 (0.42) KCNH2SLC6A4CHRM2HTR1AADRA2A
SCHEMBL8780988 0.95 KCNH2 (0.41) KCNH2SLC6A4CHRM2HTR1AADRA2A
SCHEMBL8780967 0.94 ADORA1 (0.39) KCNH2SLC6A4SLC6A3SLC22A2ADRB1
SCHEMBL8780752 0.92 MAPT (0.45) KCNH2SLC6A4CHRM2HTR1AOPRM1
SCHEMBL8780889 0.92 SLC22A2 (0.40) KCNH2SLC6A4DRD1ADRA1AOPRM1
SCHEMBL8780787 0.88 SLC22A2 (0.39) KCNH2SLC6A4SLC22A2ADRB1SLC47A2
SCHEMBL8780859 0.88 SLC22A2 (0.42) KCNH2SLC6A4SLC22A2ADRB1SLC47A2
SCHEMBL8780879 0.86 KCNH2 (0.38) KCNH2SLC6A4CHRM2HTR1ADRD3
SCHEMBL8780919 0.86 HRH3 (0.41) KCNH2ADORA1SIGMAR1
SCHEMBL8780912 0.85 SIGMAR1 (0.47) KCNH2SLC6A4SLC22A2ADRB1SLC47A2

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