SCHEMBL28026518

SCHEMBL28026518

CCc1cc2[nH]c(=O)[nH]c2cc1CC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.73
GRIN3B O60391 6/20 0.73
GRIN1 Q05586 6/20 0.73
GRIN2A Q12879 6/20 0.73
GRIN2B Q13224 6/20 0.73
GRIN2C Q14957 6/20 0.73
GRIN3A Q8TCU5 6/20 0.73
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
CA1 P00915 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 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
SCHEMBL8090341 0.84 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6904352 0.83 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20365836 0.81 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2056376 0.75 GAA (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3223630 0.73 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL762964 0.72 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24715694 0.72 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19779945 0.71 GRIN1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7469933 0.70 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29115672 0.70 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-104918640-A Method for selecting agents affecting intestinal motility disorders and pain BIOGAIA AB 2015-09-16 CN disclosed