SCHEMBL4413631

SCHEMBL4413631

CC(=O)NC(C(C)C)[C@H]1[C@@H](O)[C@H](OC(=O)O)C[C@H]1N

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 1/20 0.34

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
SCHEMBL4412441 0.87 NEU2 (0.39) NEU2
SCHEMBL4425010 0.86 NEU2 (0.34) NEU2
SCHEMBL4414972 0.85 NEU2 (0.50) NEU2
SCHEMBL4417976 0.85 NEU2 (0.50) NEU2
SCHEMBL4415941 0.85 NEU2 (0.50) NEU2
SCHEMBL13928999 0.80 NEU2 (0.49) NEU2
SCHEMBL4416786 0.77 NEU2 (0.47) NEU2
SCHEMBL4425257 0.77 NEU2 (0.47) NEU2
SCHEMBL4423891 0.77 NEU2 (0.33) NEU2
SCHEMBL4411255 0.76 NEU2 (0.35) NEU2

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-1040094-B9 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2015-09-09 — — EP claimed
EP-1040094-B1 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2009-03-18 — — EP claimed
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