SCHEMBL9429465

SCHEMBL9429465

CC(=O)c1ccccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
HTR1A P08908 4/20 0.50
KDM4E B2RXH2 3/20 0.48
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HRH1 P35367 3/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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 0.95 MAPT (0.59) MAPTHTR1ADRD3DRD2LMNA
SCHEMBL9428178 0.94 MAPT (0.55) MAPTHTR1AKDM4EDRD2ALDH1A1
SCHEMBL9429031 0.86 HTR1A (0.55) MAPTHTR1ADRD3DRD2LMNA
Hydrochloric Acid SCHEMBL9429549 0.85 HTR1A (0.54) MAPTHTR1ADRD3DRD2LMNA
SCHEMBL9429424 0.85 DRD2 (0.53) HTR1AKDM4EDRD3DRD2DRD1
SCHEMBL9429014 0.84 MEN1 (0.53) MAPTHTR1ADRD3DRD2ALDH1A1
SCHEMBL9428459 0.84 KCNA5 (0.41) HTR1ADRD3ALDH1A1MEN1KMT2A
SCHEMBL9428162 0.83 LTA4H (0.47) MAPTHTR1ADRD3DRD2ALDH1A1
SCHEMBL9384119 0.83 HTR1A (0.45) MAPTHTR1AKDM4EALDH1A1LMNA
SCHEMBL9429060 0.83 HTR1A (0.49) MAPTHTR1AHRH1

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