SCHEMBL5193828

SCHEMBL5193828

Nc1cc2ccccc2cc1C(=O)N[C@H](C(=O)O)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 19/20 0.60
CYP2C9 P11712 7/20 0.58
IDO1 P14902 1/20 0.48

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
SCHEMBL5191876 0.99 PYGL (0.62) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5192284 0.97 PYGL (0.61) PYGLCYP2C9IDO1
SCHEMBL5195809 0.90 PYGL (0.50) PYGLCYP2C9IDO1
SCHEMBL5422892 0.88 PYGL (0.49) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5196178 0.88 PYGL (0.59) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5211970 0.88 PYGL (0.59) PYGLCYP2C9
Hydrochloric Acid SCHEMBL5211974 0.88 PYGL (0.59) PYGLCYP2C9
Hydrochloric Acid SCHEMBL5211964 0.88 PYGL (0.59) PYGLCYP2C9
SCHEMBL5423321 0.87 PYGL (0.62) PYGLCYP2C9IDO1
SCHEMBL5196089 0.87 PYGL (0.61) PYGLCYP2C9IDO1

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
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed