SCHEMBL8780787

SCHEMBL8780787

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.39
ADRB1 P08588 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
CYP3A4 P08684 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.30

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 0.90 SLC22A2 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780752 0.90 MAPT (0.45) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780903 0.88 KCNH2 (0.38) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780879 0.87 KCNH2 (0.38) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780859 0.86 SLC22A2 (0.42) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780912 0.86 SIGMAR1 (0.47) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780806 0.85 KCNH2 (0.56) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780869 0.85 KCNH2 (0.42) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780988 0.84 KCNH2 (0.41) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780967 0.82 ADORA1 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2

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