SCHEMBL8780895

SCHEMBL8780895

COC(C)N(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
SLC22A2 O15244 1/20 0.47
ADRB1 P08588 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC47A2 Q86VL8 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.37
CDC25C P30307 3/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNJ1 P48048 4/20 0.36

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
SCHEMBL8781035 0.90 KCNH2 (0.50) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780968 0.88 KCNH2 (0.48) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780884 0.86 SLC22A2 (0.32) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8781016 0.82 KCNH2 (0.56) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780887 0.81 KCNH2 (0.55) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780923 0.81 KCNH2 (0.56) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780915 0.80 KCNH2 (0.57) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8781005 0.80 KCNH2 (0.57) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780816 0.79 KCNH2 (0.59) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780907 0.79 PKM (0.52) 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