SCHEMBL6763763

SCHEMBL6763763

CC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ GRIN2D O15399 2/20 0.47
▸ GRIN3B O60391 2/20 0.47
▸ GRIN1 Q05586 2/20 0.47
▸ GRIN2A Q12879 2/20 0.47
▸ GRIN2B Q13224 2/20 0.47
▸ GRIN2C Q14957 2/20 0.47
▸ GRIN3A Q8TCU5 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47

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
SCHEMBL31239037 0.86 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6766390 0.85 GAA (0.57) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL6772737 0.84 GAA (0.56) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL6893722 0.84 GAA (0.49) GAAPKMMAPTGRIN2DGRIN3B
SCHEMBL6772923 0.84 GAA (0.49) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL6767607 0.84 PDE3B (0.54) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL6767362 0.82 PDE3B (0.65) GAAPKMMAPTKDM4ELMNA
SCHEMBL6768064 0.80 GAA (0.59) GAAPKMMAPTKDM4EGRIN2D
SCHEMBL5393113 0.80 GAA (0.59) GAAPKMMAPTGRIN2DGRIN3B

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
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