SCHEMBL9428835

SCHEMBL9428835

COc1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HTR1A P08908 3/20 0.50
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
ADRA1A P35348 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
DRD3 P35462 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD4 P21917 1/20 0.47
HTR1B P28222 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL9428476 0.89 ALDH1A1 (0.58) DRD2MAPTHTR1AHRH2HRH1
SCHEMBL9428373 0.89 DRD2 (0.58) DRD2MAPTHTR1AHRH2HRH1
SCHEMBL9429324 0.89 DRD2 (0.56) DRD2HTR1AHRH2HRH1HTR2A
SCHEMBL9428466 0.89 MEN1 (0.49) DRD2HTR1AHRH1HTR2AMEN1
SCHEMBL9429006 0.89 HRH1 (0.60) DRD2HTR1AHRH2HRH1HTR2A
Hydrochloric Acid SCHEMBL9428228 0.88 SIGMAR1 (0.55) DRD2HTR1AHRH2HRH1HTR2A
Hydrochloric Acid SCHEMBL9429118 0.88 MEN1 (0.48) DRD2MAPTHTR1AHRH1HTR2A
Hydrochloric Acid SCHEMBL9428467 0.88 DRD2 (0.57) DRD2MAPTHTR1AHRH2HRH1
SCHEMBL9428870 0.87 HRH3 (0.57) HRH2HRH1MEN1ALDH1A1KMT2A
SCHEMBL9429325 0.87 HRH1 (0.51) DRD2HTR1AHRH2HRH1HTR2A

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