SCHEMBL7233107

SCHEMBL7233107

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

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 1/20 0.42

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
SCHEMBL7234621 1.00 NEU2 (0.42) NEU2
SCHEMBL7242025 1.00 NEU2 (0.42) NEU2
Trifluoroacetic Acid SCHEMBL7238688 0.94 NEU2 (0.38) NEU2
SCHEMBL7234614 0.87 NEU2 (0.39) NEU2
SCHEMBL7238817 0.87 NEU2 (0.35) NEU2
SCHEMBL7233753 0.80 NEU2 (0.34) NEU2
SCHEMBL7242048 0.80 — —
SCHEMBL23085431 0.79 NEU2 (0.43) NEU2
SCHEMBL135429 0.79 NEU2 (0.43) NEU2
SCHEMBL14834652 0.79 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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