SCHEMBL9428616

SCHEMBL9428616

Cn1c(N2CCN(CCCOc3ccc(F)cc3N)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
HTR1A P08908 7/20 0.44
DRD3 P35462 4/20 0.44
ADRA1A P35348 3/20 0.44
HRH1 P35367 3/20 0.44
ADRA1B P35368 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
HTR2B P41595 2/20 0.44
DRD4 P21917 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 1/20 0.44
HTR5A P47898 1/20 0.44
SLC6A4 P31645 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL9428336 0.88 HRH1 (0.48) DRD2HTR1ADRD3ADRA1AHRH1
SCHEMBL9428349 0.85 MEN1 (0.41) DRD2HTR1ADRD3ADRA1AHRH1
SCHEMBL9429100 0.85 HRH1 (0.49) DRD2HTR1ADRD3ADRA1AHRH1
SCHEMBL9428300 0.85 DPP4 (0.43) DRD2HTR1ADRD3ADRA1AHRH1
SCHEMBL9428800 0.85 HRH1 (0.46) DRD2HTR1ADRD3ADRA1AHRH1
SCHEMBL9428373 0.84 DRD2 (0.58) DRD2HTR1ADRD3HRH1ADRA2C
SCHEMBL9384567 0.84 HTR1A (0.45) HTR1AHRH1HRH2MAPTLMNA
SCHEMBL9429282 0.84 KDM4E (0.54) DRD2HTR1ADRD3ADRA1AHRH1
Oxalic Acid SCHEMBL9430076 0.83 ALDH1A1 (0.49) DRD2HTR1ADRD3ADRA1AHRH1
Hydrochloric Acid SCHEMBL9428467 0.83 DRD2 (0.57) DRD2HTR1ADRD3HRH1ADRA2C

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