SCHEMBL8780892

SCHEMBL8780892

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CHRNA7 P36544 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ESR1 P03372 1/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL8781036 0.89 KDM4E (0.44) RXFP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8780909 0.89 KCNH2 (0.42) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL8780789 0.89 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL8780829 0.89 RIPK2 (0.43) RXFP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8780946 0.88 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL8780998 0.88 SLC6A4 (0.42) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL8780756 0.87 ADORA3 (0.40) RXFP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8780781 0.86 LTA4H (0.46) RXFP1KCNH2MCHR1KMT2A
SCHEMBL8780783 0.86 HTR1D (0.41) KCNH2MCHR1KMT2A
SCHEMBL8780837 0.86 L3MBTL1 (0.45) ADORA2AADORA1ADORA3ADORA2BMCHR1

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