SCHEMBL8780790

SCHEMBL8780790

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.42
ACHE P22303 6/20 0.42
SIGMAR1 Q99720 3/20 0.41
SLC22A2 O15244 1/20 0.41
ADRB1 P08588 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 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
SCHEMBL8780947 0.84 HTR1A (0.39) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8781005 0.82 KCNH2 (0.57) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780744 0.82 SLC22A2 (0.48) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780861 0.81 KCNH2 (0.61) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780915 0.78 KCNH2 (0.57) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780890 0.78 PKM (0.52) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780897 0.76 SLC22A2 (0.46) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780889 0.75 SLC22A2 (0.40) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780974 0.74 DRD2 (0.42) SIGMAR1
SCHEMBL8780923 0.74 KCNH2 (0.56) SIGMAR1SLC22A2ADRB1SLC6A4KCNH2

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