SCHEMBL8780878

SCHEMBL8780878

CCN(CCCc1cccc(F)c1)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRNE Q04844 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ACHE P22303 1/20 0.39
BCHE P06276 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
SCHEMBL8780933 0.97 SLC6A4 (0.42) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780893 0.87 KCNH2 (0.59) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780946 0.85 ADORA2A (0.43) KCNH2KMT2AMAOAMAOBACHE
SCHEMBL8780869 0.80 KCNH2 (0.42) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780779 0.80 KCNH2 (0.51) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780892 0.79 RXFP1 (0.42) KCNH2KMT2A
SCHEMBL8780858 0.78 ALDH1A1 (0.44) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780905 0.78 GPR84 (0.40) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780827 0.78 SLC6A4 (0.44) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL8780974 0.78 DRD2 (0.42) DRD1ADRA1AOPRM1DRD3DRD2

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