SCHEMBL9388133

SCHEMBL9388133

Cn1c(N2CCN(CCC(=O)c3ccccc3[N+](=O)[O-])CC2)cc(=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.44
HTR1A P08908 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SOD1 P00441 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL9428879 0.83 HTR1A (0.49) HRH1HTR1AALDH1A1MEN1KMT2A
SCHEMBL9383794 0.81 SIGMAR1 (0.55) HRH1HTR1AALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL9383037 0.81 SIGMAR1 (0.53) HRH1HTR1AALDH1A1SMN1; SMN2MEN1
Oxalic Acid SCHEMBL9383042 0.81 SIGMAR1 (0.53) HRH1HTR1AALDH1A1SMN1; SMN2MEN1
SCHEMBL9388604 0.81 KMT2A (0.60) HRH1HTR1AALDH1A1MAPTMEN1
SCHEMBL9429398 0.80 HTR1A (0.56) HRH1HTR1AALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8098857 0.80 HTT (0.54) HTR1AALDH1A1MEN1KMT2ASOD1
Hydrochloric Acid SCHEMBL9428830 0.79 ALDH1A1 (0.56) HRH1HTR1AALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL11464921 0.79 HTR1A (0.62) HTR1AALDH1A1MAPTMEN1KMT2A
SCHEMBL7467094 0.78 KMT2A (0.54) HTR1AALDH1A1MEN1KMT2ACYP2D6

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-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