SCHEMBL8780744

SCHEMBL8780744

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.48
ADRB1 P08588 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLC47A2 Q86VL8 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
SIGMAR1 Q99720 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 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
SCHEMBL8781005 0.89 KCNH2 (0.57) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780861 0.85 KCNH2 (0.61) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780915 0.85 KCNH2 (0.57) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780974 0.83 DRD2 (0.42) SIGMAR1CYP2D6DRD2DRD3DRD1
SCHEMBL8780790 0.82 BCHE (0.42) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780923 0.81 KCNH2 (0.56) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL10553079 0.81 CYP2D6 (0.57) SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8780887 0.80 KCNH2 (0.55) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780890 0.80 PKM (0.52) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780806 0.80 KCNH2 (0.56) 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