SCHEMBL9429637

SCHEMBL9429637

CC(=O)c1cc(Cl)ccc1OCCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
HTR2A P28223 4/20 0.48
HRH1 P35367 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
MAOB P27338 10/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 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
SCHEMBL9428178 0.87 MAPT (0.55) HTR1AHTR2AHRH1ALDH1A1MAOB
SCHEMBL9387918 0.85 HTR1A (0.51) HTR1AHTR2AHRH1ALDH1A1MAOB
SCHEMBL9428383 0.84 MAPT (0.59) HTR1AHRH1MAOBLMNA
SCHEMBL9429316 0.83 ALDH1A1 (0.46) HTR1AHTR2AALDH1A1THRBMAOB
SCHEMBL9429134 0.83 HRH1 (0.43) HRH1ALDH1A1
SCHEMBL9429336 0.82 HRH3 (0.55) HTR1AHTR2A
SCHEMBL9388964 0.82 HTR1A (0.50) HTR1AHTR2AHRH1ALDH1A1MAOB
SCHEMBL9428210 0.82 ADRA1B (0.47) HTR1AHRH1ALDH1A1THRBLMNA
SCHEMBL9428955 0.82 ALDH1A1 (0.45) HTR1AHTR2AHRH1ALDH1A1THRB
Hydrochloric Acid SCHEMBL9429865 0.81 HRH3 (0.54) HTR1AHTR2A

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