SCHEMBL8780756

SCHEMBL8780756

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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 3/20 0.40
MCHR1 Q99705 2/20 0.40
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
ALK Q9UM73 1/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 2/20 0.39
CYP19A1 P11511 5/20 0.39
ABCB11 O95342 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL8780785 0.88 HRH3 (0.40) KCNH2CYP19A1
SCHEMBL8780789 0.87 ADORA2A (0.41) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780829 0.87 RIPK2 (0.43) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780892 0.87 RXFP1 (0.42) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780909 0.85 KCNH2 (0.42) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780837 0.84 L3MBTL1 (0.45) ADORA3ADORA2AADORA2BADORA1MCHR1
SCHEMBL8780998 0.84 SLC6A4 (0.42) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780919 0.84 HRH3 (0.41) ADORA3ADORA2AADORA2BADORA1KCNH2
SCHEMBL8780862 0.83 KCNH2 (0.59) KCNH2ALK
SCHEMBL8780776 0.82 MAOA (0.37) ADORA3ADORA2AADORA2BADORA1KCNH2

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