SCHEMBL9429216

SCHEMBL9429216

Cn1c(N2CCN(CCCOc3ccccc3S(C)(=O)=O)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.46
ADRA1A P35348 5/20 0.46
HTR1A P08908 4/20 0.46
DRD2 P14416 4/20 0.46
MAPT P10636 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A4 P31645 2/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL9428303 0.89 HRH1 (0.44) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9429479 0.87 HRH1 (0.46) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9428617 0.85 HRH1 (0.48) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9429697 0.84 DRD2 (0.57) HRH1ADRA1AHTR1ADRD2MAPT
Hydrochloric Acid SCHEMBL9428851 0.84 MAPT (0.49) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9428336 0.84 HRH1 (0.48) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9429005 0.84 CYP2C19 (0.53) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9429282 0.84 KDM4E (0.54) HRH1ADRA1AHTR1ADRD2MAPT
Hydrochloric Acid SCHEMBL9429317 0.83 CYP2C19 (0.52) HRH1ADRA1AHTR1ADRD2MAPT
SCHEMBL9428827 0.83 MEN1 (0.55) HRH1ADRA1AHTR1ADRD2MAPT

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