SCHEMBL5538769

SCHEMBL5538769

CCCC(C[n+]1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.56
SLC6A3 Q01959 3/20 0.56
ADRA1A P35348 2/20 0.56
DRD3 P35462 2/20 0.56
CHRM3 P20309 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
AKR1A1 P14550 1/20 0.56
HRH1 P35367 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GRIK1 P39086 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIK2 Q13002 1/20 0.44
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 3/20 0.39

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
SCHEMBL5536968 0.89 MAPK1 (0.55) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5532412 0.87 GRIK1 (0.49) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5532651 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5538486 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5538813 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5533712 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5533231 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5535317 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5533514 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3
SCHEMBL5533243 0.86 GRIK1 (0.50) CHRM1SLC6A3ADRA1ADRD3CHRM3

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
US-20070044831-A1 Electrolyte composition and dye-sensitized solar cell NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2007-03-01 US disclosed