SCHEMBL5191891

SCHEMBL5191891

Nc1cc(F)c(F)cc1C(=O)N[C@H](C(=O)O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 18/20 0.52
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYP2C9 P11712 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5195449 0.85 PYGL (0.59) PYGLCNR1CNR2CYP2C9
SCHEMBL5195453 0.85 PYGL (0.59) PYGLCNR1CNR2CYP2C9
SCHEMBL5427731 0.85 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5196225 0.84 PYGL (0.53) PYGLCNR1CNR2CYP2C9
SCHEMBL5196236 0.84 PYGL (0.53) PYGLCNR1CNR2CYP2C9
SCHEMBL5192639 0.83 PYGL (0.57) PYGLCNR1CNR2CYP2C9
SCHEMBL5197590 0.83 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5197602 0.83 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5191876 0.82 PYGL (0.62) PYGLCYP2C9NPC1
Hydrochloric Acid SCHEMBL5192284 0.81 PYGL (0.61) PYGLCYP2C9NPC1

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