SCHEMBL8780862

SCHEMBL8780862

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.59
PKM P14618 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC22A2 O15244 1/20 0.46
ADRB1 P08588 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC47A2 Q86VL8 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
ALK Q9UM73 1/20 0.42

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
SCHEMBL8780851 0.97 KCNH2 (0.55) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780805 0.94 KCNH2 (0.65) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780890 0.93 PKM (0.52) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780927 0.88 KCNH2 (0.58) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780816 0.87 KCNH2 (0.59) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780765 0.87 KCNH2 (0.55) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780923 0.86 KCNH2 (0.56) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780789 0.85 ADORA2A (0.41) KCNH2PKM
SCHEMBL8780892 0.85 RXFP1 (0.42) KCNH2
SCHEMBL8780829 0.85 RIPK2 (0.43) KCNH2

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