SCHEMBL6766396

SCHEMBL6766396

CCOCCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
P2RY12 Q9H244 4/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
HSD17B10 Q99714 2/20 0.41
ESR2 Q92731 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 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
SCHEMBL6767882 0.83 GAA (0.54) GAAPKMALDH1A1MAPTHSD17B10
SCHEMBL6768119 0.83 GAA (0.54) GAAPKMPDE3BPDE3AP2RY12
SCHEMBL5393113 0.81 GAA (0.59) GAAPKMALDH1A1MAPTGRIN2D
SCHEMBL13303940 0.80 GAA (0.68) GAAPKMPDE3BPDE3AALDH1A1
SCHEMBL6767005 0.77 GAA (0.51) GAAPKMALDH1A1MAPTHSD17B10
SCHEMBL2056376 0.77 GAA (0.63) GAAPKMPDE3BPDE3AALDH1A1
SCHEMBL1824734 0.77 GAA (0.54) GAAPKMALDH1A1MAPTGRIN2D
SCHEMBL6767362 0.76 PDE3B (0.65) GAAPKMPDE3BPDE3AP2RY12
SCHEMBL13015140 0.75 GAA (0.53) GAAPKMALDH1A1GRIN2DGRIN3B
SCHEMBL28619121 0.75 GAA (0.53) GAAPKMPDE3BPDE3AP2RY12

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