SCHEMBL8780755

SCHEMBL8780755

CCNCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL8780886 0.92 CYP1A2 (0.47) MAPK1CYP1A2TAAR1NPSR1POLB
SCHEMBL23710639 0.75 MAPK1 (0.48) MAPK1CYP1A2NPSR1POLBTSHR
SCHEMBL9199477 0.75 MAPK1 (0.73) MAPK1CYP1A2TAAR1NPSR1POLB
SCHEMBL8780774 0.74 KMT2A (0.46) MAPK1CYP1A2TAAR1NPSR1HSD17B10
SCHEMBL8780808 0.72 TAAR1 (0.45) MAPK1CYP1A2TAAR1RXFP1ALDH1A1
SCHEMBL8780883 0.71 GPR84 (0.42) MAPK1CYP1A2TAAR1NPSR1POLB
SCHEMBL8780985 0.71 GPR84 (0.42) MAPK1CYP1A2TAAR1NPSR1POLB
SCHEMBL8780970 0.71 GPR84 (0.42) MAPK1CYP1A2TAAR1NPSR1POLB
SCHEMBL8780809 0.71 GPR84 (0.46) MAPK1CYP1A2NPSR1HSD17B10RXFP1
SCHEMBL20515256 0.70 RXFP1 (0.46) MAPK1CYP1A2NPSR1POLBTSHR

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