SCHEMBL7232568

SCHEMBL7232568

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

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 1/20 0.46

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
SCHEMBL7231224 1.00 NEU2 (0.46) NEU2
SCHEMBL7239549 1.00 NEU2 (0.46) NEU2
Hydrochloric Acid SCHEMBL7242030 0.99 NEU2 (0.45) NEU2
SCHEMBL23085351 0.87 NEU2 (0.39) NEU2
SCHEMBL7234852 0.87 NEU2 (0.39) NEU2
SCHEMBL7231442 0.85 NEU2 (0.37) NEU2
SCHEMBL14834652 0.80 NEU2 (0.43) NEU2
SCHEMBL135429 0.80 NEU2 (0.43) NEU2
SCHEMBL23085431 0.80 NEU2 (0.43) NEU2
SCHEMBL14396716 0.80 NEU2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 — — US claimed
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