SCHEMBL8780868

SCHEMBL8780868

CN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
FDPS P14324 1/20 0.35
SSTR4 P31391 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
SCHEMBL8780781 0.88 LTA4H (0.46) KDM4EALDH1A1HPGDKCNH2MCHR1
SCHEMBL8780946 0.87 ADORA2A (0.43) MAOBMAOAADORA2AADORA1KDM4E
SCHEMBL8780990 0.81 KCNH2 (0.39) ADORA2AADORA1KCNH2MCHR1
SCHEMBL8780768 0.80 ALDH1A1 (0.38) KDM4EALDH1A1LMNA
SCHEMBL8781045 0.78 MAOB (0.49) MAOBKDM4EALDH1A1
SCHEMBL22831321 0.78 CHRNB2 (0.51) MAOBKDM4EALDH1A1LMNAKCNH2
SCHEMBL31623324 0.78 CHRNB2 (0.51) MAOBKDM4EALDH1A1LMNAKCNH2
SCHEMBL8780927 0.77 KCNH2 (0.58) LMNAHPGDKCNH2
SCHEMBL8780850 0.76 KCNH2 (0.59) ALDH1A1LMNAHPGDKCNH2
SCHEMBL8781036 0.75 KDM4E (0.44) ADORA2AADORA1KDM4EMCHR1

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