SCHEMBL9385183

SCHEMBL9385183

Cn1c(N2CCN(CCc3cccc([N+](=O)[O-])c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
KCNJ1 P48048 6/20 0.48
KCNH2 Q12809 5/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
ABCC1 P33527 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL9384620 0.87 KCNJ1 (0.64) SIGMAR1KCNJ1KCNH2ABCC1
Hydrochloric Acid SCHEMBL9386222 0.86 KCNJ1 (0.63) SIGMAR1KCNJ1KCNH2ABCC1
SCHEMBL9385273 0.83 HRH3 (0.60) SIGMAR1KCNJ1KCNH2ALDH1A1MEN1
SCHEMBL9429643 0.82 MEN1 (0.55) SIGMAR1ALDH1A1MEN1KMT2AHTR1A
SCHEMBL9388198 0.82 LMNA (0.58) SIGMAR1DRD2
SCHEMBL9428322 0.81 SLC6A3 (0.57) SIGMAR1KCNH2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9382887 0.81 LMNA (0.57) SIGMAR1DRD2HTR7
SCHEMBL9383628 0.81 KCNJ1 (0.63) SIGMAR1KCNJ1KCNH2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL9428451 0.81 MEN1 (0.54) SIGMAR1ALDH1A1MEN1KMT2AHTR1A
SCHEMBL9385849 0.81 HTR1A (0.51) KCNJ1KCNH2ALDH1A1MEN1KMT2A

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