SCHEMBL30585959

SCHEMBL30585959

COc1cccnc1N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.52
SLC2A2 P11168 4/20 0.52
SLC2A3 P11169 3/20 0.52
CHRM4 P08173 2/20 0.48
DRD2 P14416 3/20 0.47
MALT1 Q9UDY8 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL29086088 1.00 SLC2A1 (0.52) SLC2A1SLC2A2SLC2A3CHRM4DRD2
SCHEMBL27815937 0.95 CYP1A2 (0.51) SLC2A1SLC2A2SLC2A3CHRM4DRD2
SCHEMBL13030063 0.89 SLC2A1 (0.48) SLC2A1SLC2A2SLC2A3CHRM4DRD2
SCHEMBL10819371 0.86 DRD2 (0.56) SLC2A1SLC2A2SLC2A3DRD2DRD4
SCHEMBL1515456 0.86 SLC2A1 (0.50) SLC2A1SLC2A2SLC2A3CHRM4DRD2
SCHEMBL12986602 0.86 HTR3A (0.51) SLC2A1SLC2A2SLC2A3DRD2DRD3
Hydrochloric Acid SCHEMBL1063578 0.85 LMNA (0.52) SLC2A1SLC2A2SLC2A3DRD2DRD3
SCHEMBL1026306 0.85 CYP2C19 (0.57) SLC2A1SLC2A2SLC2A3DRD2DRD3
SCHEMBL14349473 0.85 TRPM8 (0.56) SLC2A1SLC2A2SLC2A3DRD2DRD4
SCHEMBL30455146 0.85 TRPM8 (0.56) SLC2A1SLC2A2SLC2A3DRD2DRD4

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
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed