SCHEMBL6768064

SCHEMBL6768064

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
PKM P14618 1/20 0.59
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
P2RY12 Q9H244 2/20 0.47
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
ALDH1A1 P00352 4/20 0.44

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 0.88 GAA (0.68) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL9619832 0.84 GAA (0.63) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6768001 0.81 GAA (0.65) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL28624153 0.81 GAA (0.70) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6910223 0.81 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL5393113 0.81 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6763763 0.80 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL31239037 0.80 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL20718811 0.79 GAA (0.73) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6766390 0.79 GAA (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed