SCHEMBL8780959

SCHEMBL8780959

CCCN(CCO)CCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 2/20 0.37
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8780897 0.92 SLC22A2 (0.46) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780948 0.90 SLC22A2 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780827 0.82 SLC6A4 (0.44) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780770 0.81 ALDH1A1 (0.36) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780774 0.78 KMT2A (0.46) GPR84MAPK1NPSR1CYP1A2ALDH1A1
SCHEMBL8780873 0.77 PLA2G7 (0.37) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780815 0.76 ADORA2A (0.38) KCNH2ALDH1A1KMT2A
SCHEMBL8780905 0.76 GPR84 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780788 0.75 GPR84 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780809 0.75 GPR84 (0.46) GPR84MAPK1NPSR1CYP1A2ALDH1A1

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