SCHEMBL9428545

SCHEMBL9428545

Cn1c(=O)cc(N2CCN(CCCOc3ccccc3)CC2)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
DRD2 P14416 3/20 0.56
HTR2A P28223 3/20 0.56
DRD3 P35462 3/20 0.56
TMEM97 Q5BJF2 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HRH1 P35367 2/20 0.56
LMNA P02545 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9429332 0.88 DRD2 (0.53) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9429626 0.88 HTR1A (0.51) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9429269 0.86 HTR1A (0.49) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9384677 0.85 HRH3 (0.54) HTR1ADRD3HRH1LMNAALDH1A1
SCHEMBL9429342 0.83 DRD3 (0.56) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9429772 0.83 DRD2 (0.53) HTR1ADRD2HTR2ADRD3ALDH1A1
SCHEMBL9428435 0.82 DRD2 (0.58) HTR1ADRD2HTR2ADRD3TMEM97
Hydrochloric Acid SCHEMBL9428939 0.81 DRD2 (0.56) HTR1ADRD2HTR2ADRD3TMEM97
Oxalic Acid SCHEMBL9428165 0.80 KDM4E (0.57) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9429006 0.79 HRH1 (0.60) HTR1ADRD2HTR2ADRD3TMEM97

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed