SCHEMBL9429196

SCHEMBL9429196

CC(=O)c1c(C)cccc1OCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.50
HTR2A P28223 19/20 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
SCHEMBL9428383 0.85 MAPT (0.59) HTR1A
SCHEMBL9428719 0.83 HRH3 (0.47) HTR1AHTR2A
SCHEMBL9429574 0.82 HRH1 (0.48) HTR1A
Hydrochloric Acid SCHEMBL9428866 0.82 HRH1 (0.47) HTR1A
SCHEMBL9428178 0.82 MAPT (0.55) HTR1AHTR2A
SCHEMBL9429031 0.81 HTR1A (0.55) HTR1A
SCHEMBL9429765 0.81 HRH3 (0.52) HTR1AHTR2A
SCHEMBL9429621 0.80 DRD2 (0.51) HTR1AHTR2A
SCHEMBL9429697 0.80 DRD2 (0.57) HTR1AHTR2A
Hydrochloric Acid SCHEMBL9429549 0.80 HTR1A (0.54) HTR1A

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