SCHEMBL9384677

SCHEMBL9384677

Cn1c(=O)cc(N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.48
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 3/20 0.48
GALR3 O60755 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTR5A P47898 1/20 0.46
LMNA P02545 1/20 0.46
IKBKB O14920 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR1A P08908 1/20 0.44

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 0.86 KCNJ1 (0.59) HRH3ALDH1A1KDM4EPKMLMNA
SCHEMBL9429332 0.85 DRD2 (0.53) HRH3HRH2HRH1LMNADRD3
SCHEMBL9428545 0.85 HTR1A (0.56) HRH1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9389285 0.84 KCNJ1 (0.60) HRH3LMNA
SCHEMBL9383669 0.82 HRH3 (0.57) HRH3HRH2HRH1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9383594 0.81 HRH3 (0.56) HRH3HRH2HRH1ALDH1A1KDM4E
SCHEMBL9385515 0.81 ALDH1A1 (0.47) HRH3ALDH1A1KDM4ESMN1; SMN2PKM
Oxalic Acid SCHEMBL9388883 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL9385412 0.79 HRH3 (0.62) HRH3HRH2HRH1ALDH1A1KDM4E
SCHEMBL521113 0.78 HRH3 (0.71) HRH3HRH2HRH1ALDH1A1KDM4E

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