SCHEMBL9429697

SCHEMBL9429697

COc1ccccc1OCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
HTR1A P08908 4/20 0.57
ADRA1A P35348 3/20 0.57
MAPT P10636 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
HRH1 P35367 2/20 0.57
HTR2B P41595 2/20 0.57
DRD3 P35462 2/20 0.57
LMNA P02545 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDE3A Q14432 1/20 0.57

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 0.87 HRH1 (0.48) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9429005 0.87 CYP2C19 (0.53) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9429282 0.87 KDM4E (0.54) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9428210 0.87 ADRA1B (0.47) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9429479 0.87 HRH1 (0.46) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9429574 0.87 HRH1 (0.48) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9428810 0.87 HRH1 (0.48) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9428732 0.87 HRH1 (0.46) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9429771 0.87 HRH1 (0.46) DRD2HTR1AADRA1AMAPTSLC6A4
SCHEMBL9428827 0.86 MEN1 (0.55) DRD2HTR1AADRA1AMAPTSLC6A4

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