SCHEMBL9428435

SCHEMBL9428435

O=c1cc(N2CCN(CCCOc3ccccc3)CC2)[nH]c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
HTR1A P08908 3/20 0.58
HTR2A P28223 3/20 0.58
DRD3 P35462 3/20 0.58
TMEM97 Q5BJF2 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
HRH1 P35367 2/20 0.58
GPR84 Q9NQS5 3/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL9428939 0.99 DRD2 (0.56) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL9429989 0.88 GPR84 (0.60) DRD2HTR1AHTR2ADRD3TMEM97
Hydrochloric Acid SCHEMBL9428431 0.87 GPR84 (0.58) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL9428990 0.84 CYP1A2 (0.52) DRD2DRD3GPR84ALDH1A1SMN1; SMN2
SCHEMBL9428545 0.82 HTR1A (0.56) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL9429342 0.80 DRD3 (0.56) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL9429042 0.79 HTR2A (0.42) DRD2HTR2ADRD3HRH1GPR84
SCHEMBL9429626 0.78 HTR1A (0.51) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL7033807 0.77 HTR1A (0.80) DRD2HTR1AHTR2ADRD3TMEM97
Oxalic Acid SCHEMBL9428165 0.76 KDM4E (0.57) DRD2HTR1AHTR2ADRD3TMEM97

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