SCHEMBL8780952

SCHEMBL8780952

CC(C)N(CCO)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.37
ADRB1 P08588 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
PLA2G7 Q13093 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8780873 0.92 PLA2G7 (0.37) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780788 0.82 GPR84 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780857 0.80 ALDH1A1 (0.34) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780827 0.80 SLC6A4 (0.44) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780809 0.79 GPR84 (0.46) GPR84PLA2G7MAPTRXFP1NPSR1
SCHEMBL8780897 0.78 SLC22A2 (0.46) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780750 0.78 TDP1 (0.37) KCNH2PLA2G7MAPTRXFP1NPSR1
SCHEMBL8780727 0.78 L3MBTL1 (0.44) MAPTNPSR1POLBL3MBTL1ALDH1A1
SCHEMBL8781035 0.77 KCNH2 (0.50) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780905 0.77 GPR84 (0.40) 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