SCHEMBL6766474

SCHEMBL6766474

CNC(=O)OCCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
PKM P14618 1/20 0.45
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL6768232 0.86 GAA (0.47) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL28619121 0.81 GAA (0.53) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6772923 0.78 GAA (0.49) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6768119 0.77 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6767765 0.76 KMT2A (0.49) GAAPKMKDM4EMAPTALDH1A1
SCHEMBL6767607 0.75 PDE3B (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6766396 0.75 GAA (0.51) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6763502 0.75 MEN1 (0.56) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL13303940 0.75 GAA (0.68) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6763763 0.74 GAA (0.54) 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