SCHEMBL8780970

SCHEMBL8780970

Cn1c(CCCN)cc(=O)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G7 Q13093 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8780883 0.81 GPR84 (0.42) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL8780809 0.81 GPR84 (0.46) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL8780985 0.81 GPR84 (0.42) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL8780886 0.77 CYP1A2 (0.47) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL8780774 0.77 KMT2A (0.46) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL23710639 0.74 MAPK1 (0.48) CYP1A2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL20515256 0.72 RXFP1 (0.46) CYP1A2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL8780808 0.72 TAAR1 (0.45) CYP1A2ALDH1A1RXFP1MAPK1TAAR1
SCHEMBL8780755 0.71 MAPK1 (0.47) GPR84CYP1A2ALDH1A1KMT2AMEN1
SCHEMBL8780827 0.71 SLC6A4 (0.44) GPR84CYP1A2ALDH1A1KMT2AMEN1

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