SCHEMBL22326016

SCHEMBL22326016

c1ccc(Oc2cccc3[nH]cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
DRD2 P14416 2/20 0.52
BRD4 O60885 2/20 0.45
PARP1 P09874 1/20 0.42
HTR1A P08908 3/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DPP4 P27487 2/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
LTA4H P09960 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9529342 0.77 DRD4 (0.64) DRD4DRD3DRD2BRD4HTR1A
SCHEMBL10140 0.77 BRD4 (0.60) DRD4DRD3DRD2BRD4PARP1
SCHEMBL842410 0.75 DRD1 (0.52) DRD4DRD3DRD2HTR1ASLC6A2
SCHEMBL25386569 0.75 DPP4 (0.48) DRD4DRD3DRD2BRD4PARP1
SCHEMBL7432212 0.75 PARP1 (0.53) DRD4DRD3DRD2BRD4PARP1
SCHEMBL12894974 0.74 DRD2 (0.54) DRD4DRD3DRD2BRD4PARP1
SCHEMBL29907232 0.74 DRD2 (0.54) DRD4DRD3DRD2BRD4PARP1
SCHEMBL15724303 0.74 PARP1 (0.47) DRD4DRD3DRD2BRD4PARP1
SCHEMBL31588180 0.72 DRD2 (0.52) DRD4DRD3DRD2BRD4PARP1
SCHEMBL23123499 0.72 DRD2 (0.46) DRD4DRD3DRD2BRD4PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed