SCHEMBL8780948

SCHEMBL8780948

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.39
ADRB1 P08588 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
ADORA1 P30542 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL8780827 0.92 SLC6A4 (0.44) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780959 0.90 SLC22A2 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780905 0.86 GPR84 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780770 0.82 ALDH1A1 (0.36) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780897 0.82 SLC22A2 (0.46) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780967 0.80 ADORA1 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780774 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1GPR84MAPK1
SCHEMBL8780873 0.78 PLA2G7 (0.37) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780988 0.77 KCNH2 (0.41) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8781003 0.77 KCNH2 (0.50) 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