SCHEMBL5193891

SCHEMBL5193891

O=C(N[C@H](C(=O)O)C1CCCCC1)c1ccc(-c2cccc(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 15/20 0.52
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.41
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5195668 0.92 PYGL (0.46) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5197711 0.91 MEN1 (0.51) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5193196 0.89 PYGL (0.55) PYGLCYP2C9
SCHEMBL5193186 0.89 PYGL (0.55) PYGLCYP2C9
SCHEMBL5418878 0.88 PYGL (0.45) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5196786 0.88 PYGL (0.53) PYGLCYP2C9
SCHEMBL5196793 0.88 PYGL (0.53) PYGLCYP2C9
SCHEMBL5191862 0.84 PYGL (0.55) PYGLCYP2C9
SCHEMBL5195223 0.83 ABCB1 (0.47) PYGLKMT2AABCB1
SCHEMBL5196528 0.82 MMP13 (0.55) PYGLMEN1LMNAMAPTKMT2A

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