SCHEMBL8780926

SCHEMBL8780926

COC(C)NCCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G7 Q13093 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL8780886 0.76 CYP1A2 (0.47) MAPTPOLBTSHRNPSR1HSD17B10
SCHEMBL8780809 0.74 GPR84 (0.46) MAPTNPSR1HSD17B10PLA2G7CYP1A2
SCHEMBL8780985 0.71 GPR84 (0.42) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL8780883 0.71 GPR84 (0.42) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL8780970 0.71 GPR84 (0.42) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL8780944 0.69 TAAR1 (0.60) TSHRMAPK1TAAR1ALDH1A1
SCHEMBL8780755 0.68 MAPK1 (0.47) MAPTPOLBTSHRNPSR1HSD17B10
SCHEMBL8780906 0.68 DRD2 (0.56) POLBTSHRPLA2G7RXFP1KMT2A
SCHEMBL8780808 0.68 TAAR1 (0.45) CYP1A2MAPK1TAAR1RXFP1ALDH1A1
SCHEMBL12291287 0.67 RXFP1 (0.43) MAPTPOLBTSHRNPSR1HSD17B10

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