SCHEMBL8780897

SCHEMBL8780897

CCCN(CCO)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.46
ADRB1 P08588 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC47A2 Q86VL8 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
GPR84 Q9NQS5 1/20 0.43
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.32
ABCB1 P08183 1/20 0.32

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
SCHEMBL8780959 0.92 SLC22A2 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780827 0.90 SLC6A4 (0.44) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780905 0.85 GPR84 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780948 0.82 SLC22A2 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780788 0.82 GPR84 (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780859 0.81 SLC22A2 (0.42) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780889 0.80 SLC22A2 (0.40) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780809 0.79 GPR84 (0.46) GPR84CYP1A2MAPK1NPSR1ALDH1A1
SCHEMBL8780947 0.78 HTR1A (0.39) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL8780952 0.78 SLC22A2 (0.37) 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