SCHEMBL8780909

SCHEMBL8780909

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 1/20 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
GALR3 O60755 3/20 0.40
AGER Q15109 1/20 0.40
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
ALK Q9UM73 2/20 0.39
APP P05067 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NOS1 P29475 3/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 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
SCHEMBL8780998 0.91 SLC6A4 (0.42) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780892 0.89 RXFP1 (0.42) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780789 0.87 ADORA2A (0.41) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780829 0.87 RIPK2 (0.43) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780756 0.85 ADORA3 (0.40) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780837 0.84 L3MBTL1 (0.45) MCHR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8780919 0.84 HRH3 (0.41) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780862 0.83 KCNH2 (0.59) KCNH2ALK
SCHEMBL8780946 0.82 ADORA2A (0.43) KCNH2MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780798 0.82 BCHE (0.50) KCNH2MCHR1ADORA3MAPTKMT2A

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