SCHEMBL8780912

SCHEMBL8780912

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
ABCB1 P08183 1/20 0.36
KCNH2 Q12809 2/20 0.35
SLC22A2 O15244 1/20 0.35
ADRB1 P08588 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC47A2 Q86VL8 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMPD1 P17405 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
SCHEMBL8780787 0.86 SLC22A2 (0.39) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780903 0.85 KCNH2 (0.38) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780990 0.84 KCNH2 (0.39) KCNH2
SCHEMBL8780857 0.84 ALDH1A1 (0.34) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780752 0.84 MAPT (0.45) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780889 0.84 SLC22A2 (0.40) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780869 0.84 KCNH2 (0.42) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8781016 0.83 KCNH2 (0.56) SIGMAR1KCNH2SLC22A2ADRB1SLC6A4
SCHEMBL8780859 0.83 SLC22A2 (0.42) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780936 0.82 KCNH2 (0.54) KCNH2CYP3A4

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