SCHEMBL8780799

SCHEMBL8780799

Cn1c(CCCNCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
SLC22A2 O15244 1/20 0.52
ADRB1 P08588 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC47A2 Q86VL8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
CHRM2 P08172 1/20 0.46
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CDC25C P30307 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KCNJ1 P48048 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL8780960 0.85 DRD2 (0.59) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386254 0.84 KCNH2 (0.66) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780808 0.83 TAAR1 (0.45) SMN1; SMN2CYP3A4TAAR1
SCHEMBL9383710 0.82 KCNH2 (0.64) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780944 0.82 TAAR1 (0.60) SMN1; SMN2TAAR1
SCHEMBL8781016 0.81 KCNH2 (0.56) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384586 0.81 KCNH2 (0.68) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9387321 0.81 KCNH2 (0.68) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780816 0.81 KCNH2 (0.59) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Hydrochloric Acid SCHEMBL9383350 0.81 KCNH2 (0.67) 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