SCHEMBL9429014

SCHEMBL9429014

COC(=O)c1ccccc1OCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
HTR1A P08908 8/20 0.52
HRH1 P35367 5/20 0.49
MAPT P10636 4/20 0.49
ADRA1A P35348 2/20 0.49
DRD2 P14416 2/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49

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 0.90 MAPT (0.59) HTR1AHRH1MAPTADRA1ADRD2
SCHEMBL9429031 0.90 HTR1A (0.55) HTR1AHRH1MAPTADRA1ADRD2
Hydrochloric Acid SCHEMBL9429549 0.89 HTR1A (0.54) HTR1AHRH1MAPTADRA1ADRD2
SCHEMBL9429658 0.88 HTR1A (0.52) HTR1AHRH1MAPTADRA1ADRD2
SCHEMBL9428178 0.87 MAPT (0.55) HTR1AHRH1MAPTDRD2LMNA
SCHEMBL9429060 0.86 HTR1A (0.49) HTR1AHRH1MAPTADRA1AADRA1D
SCHEMBL9428613 0.85 HTR1A (0.49) MEN1KMT2AHTR1AHRH1MAPT
SCHEMBL9429697 0.85 DRD2 (0.57) HTR1AHRH1MAPTADRA1ADRD2
SCHEMBL9428911 0.85 HRH1 (0.41) HTR1AHRH1MAPTADRA1ADRD2
SCHEMBL9429465 0.84 MAPT (0.52) MEN1KMT2AGAAHTR1AHRH1

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