SCHEMBL8780998

SCHEMBL8780998

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
GALR3 O60755 3/20 0.38
APP P05067 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL8780909 0.91 KCNH2 (0.42) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780892 0.88 RXFP1 (0.42) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780789 0.86 ADORA2A (0.41) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780829 0.86 RIPK2 (0.43) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780756 0.84 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780837 0.83 L3MBTL1 (0.45) ADORA3ADORA2AADORA2BADORA1MCHR1
SCHEMBL8780919 0.83 HRH3 (0.41) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780862 0.82 KCNH2 (0.59) SLC6A4KCNH2
SCHEMBL8780946 0.81 ADORA2A (0.43) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780798 0.81 BCHE (0.50) SLC6A4SLC6A3ADORA3KCNH2MCHR1

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