SCHEMBL9389285

SCHEMBL9389285

Cn1c(=O)cc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 15/20 0.60
KCNH2 Q12809 14/20 0.60
HRH3 Q9Y5N1 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.49
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL9389552 0.94 KCNJ1 (0.59) KCNJ1KCNH2HRH3SIGMAR1LMNA
SCHEMBL9384677 0.84 HRH3 (0.54) HRH3LMNA
SCHEMBL9428430 0.84 SMN1; SMN2 (0.60) KCNJ1KCNH2LMNA
SCHEMBL9383407 0.83 KCNJ1 (0.61) KCNJ1KCNH2HRH3SIGMAR1ABCB1
SCHEMBL9384620 0.81 KCNJ1 (0.64) KCNJ1KCNH2HRH3SIGMAR1ABCB1
Hydrochloric Acid SCHEMBL9386222 0.80 KCNJ1 (0.63) KCNJ1KCNH2HRH3SIGMAR1ABCB1
SCHEMBL2731306 0.78 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL9428657 0.77 LMNA (0.51) SIGMAR1LMNA
SCHEMBL9385273 0.77 HRH3 (0.60) KCNJ1KCNH2HRH3SIGMAR1ABCB1
SCHEMBL10359671 0.75 KCNJ1 (0.82) KCNJ1KCNH2HRH3SIGMAR1MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed