SCHEMBL8780770

SCHEMBL8780770

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SLC22A2 O15244 1/20 0.35
ADRB1 P08588 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC47A2 Q86VL8 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PLA2G7 Q13093 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL8780788 0.91 GPR84 (0.39) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780948 0.82 SLC22A2 (0.39) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780774 0.81 KMT2A (0.46) ALDH1A1RXFP1KMT2AMEN1GPR84
SCHEMBL8780873 0.81 PLA2G7 (0.37) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780959 0.81 SLC22A2 (0.40) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780809 0.78 GPR84 (0.46) ALDH1A1RXFP1KMT2AMEN1GPR84
SCHEMBL8780827 0.77 SLC6A4 (0.44) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780897 0.76 SLC22A2 (0.46) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780952 0.76 SLC22A2 (0.37) ALDH1A1SLC22A2ADRB1SLC6A4KCNH2
SCHEMBL8780867 0.74 KCNH2 (0.43) KCNH2SMN1; SMN2NPC1RAB9A

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