SCHEMBL9428872

SCHEMBL9428872

CC(=O)c1ccccc1OCCCN1CCN(c2cc(=O)[nH]c(=O)n2C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
HTR1A P08908 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
MAOB P27338 2/20 0.41
ABCB1 P08183 3/20 0.41
HTR2A P28223 3/20 0.40

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
SCHEMBL9429742 0.86 MAPT (0.55) MAPTHTR1AL3MBTL1DRD2MAOB
SCHEMBL9428383 0.79 MAPT (0.59) MAPTHTR1ADRD2DRD3MAOB
SCHEMBL9429316 0.77 ALDH1A1 (0.46) MAPTHTR1AMAOBHTR2A
SCHEMBL9428178 0.77 MAPT (0.55) MAPTHTR1AL3MBTL1DRD2MAOB
SCHEMBL9383519 0.75 HTR1A (0.49) MAPTHTR1AHTR2A
SCHEMBL9429465 0.74 MAPT (0.52) MAPTHTR1ADRD2DRD3MAOB
SCHEMBL24395441 0.74 MAPT (0.72) MAPTHTR1AL3MBTL1MAOBABCB1
Oxalic Acid SCHEMBL9428165 0.72 KDM4E (0.57) MAPTHTR1ADRD2DRD4DRD3
SCHEMBL9429031 0.71 HTR1A (0.55) MAPTHTR1ADRD2DRD3
SCHEMBL9429342 0.71 DRD3 (0.56) HTR1ADRD2DRD4DRD3HTR2A

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