SCHEMBL9429079

SCHEMBL9429079

Cn1c(N2CCN(CCCOc3ccccc3C(=O)c3ccc(Br)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD1 P21728 1/20 0.47
HRH1 P35367 9/20 0.47
HTR1A P08908 5/20 0.47
MAPT P10636 1/20 0.43
DRD4 P21917 1/20 0.43
GCGR P47871 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL9429424 0.95 DRD2 (0.53) DRD2DRD3DRD1HRH1HTR1A
SCHEMBL9429060 0.86 HTR1A (0.49) HRH1HTR1AMAPTADRA1DADRA1A
SCHEMBL9388310 0.85 ALDH1A1 (0.51) HRH1HTR1AMAPT
SCHEMBL9428383 0.85 MAPT (0.59) DRD2DRD3HRH1HTR1AMAPT
SCHEMBL9429031 0.85 HTR1A (0.55) DRD2DRD3HRH1HTR1AMAPT
SCHEMBL9428613 0.85 HTR1A (0.49) DRD2HRH1HTR1AMAPTADRA1D
Hydrochloric Acid SCHEMBL9429549 0.84 HTR1A (0.54) DRD2DRD3HRH1HTR1AMAPT
SCHEMBL9429014 0.84 MEN1 (0.53) DRD2DRD3HRH1HTR1AMAPT
SCHEMBL9428178 0.82 MAPT (0.55) DRD2HRH1HTR1AMAPT
SCHEMBL9428270 0.82 HTR1A (0.46) DRD2DRD3HRH1HTR1AMAPT

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