SCHEMBL9429342

SCHEMBL9429342

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.56
DRD2 P14416 5/20 0.56
HTR1A P08908 3/20 0.56
HTR2A P28223 3/20 0.56
TMEM97 Q5BJF2 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HRH1 P35367 3/20 0.56
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD4 P21917 2/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH2 P25021 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47

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
Oxalic Acid SCHEMBL9428165 0.96 KDM4E (0.57) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9428894 0.88 DRD2 (0.53) DRD3DRD2HTR1AHTR2ATMEM97
Oxalic Acid SCHEMBL9429238 0.86 MEN1 (0.55) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9429006 0.84 HRH1 (0.60) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9428545 0.83 HTR1A (0.56) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9428435 0.80 DRD2 (0.58) DRD3DRD2HTR1AHTR2ATMEM97
Hydrochloric Acid SCHEMBL9428939 0.79 DRD2 (0.56) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9428736 0.78 DRD3 (0.53) DRD3DRD2HTR1AHTR2ATMEM97
SCHEMBL9429366 0.78 ALDH1A1 (0.52) DRD3DRD2HTR1AHTR2ATMEM97
Hydrochloric Acid SCHEMBL9428580 0.77 MEN1 (0.51) DRD3DRD2HTR1AHTR2ATMEM97

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