SCHEMBL29133433

SCHEMBL29133433

O=c1[nH]c2ccc(CCCCBr)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
PDE3B Q13370 6/20 0.42
PDE3A Q14432 6/20 0.42
P2RY12 Q9H244 4/20 0.42
PDE2A O00408 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 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
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL1824734 0.83 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL13015140 0.81 GAA (0.53) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL625509 0.80 GAA (0.63) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL1826081 0.79 PDE3B (0.62) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6910223 0.77 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6768064 0.77 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL28624153 0.77 GAA (0.70) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL5393113 0.77 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6768001 0.77 GAA (0.65) GAAPKMGRIN2DGRIN3BGRIN1

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-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN disclosed