SCHEMBL4413704

SCHEMBL4413704

CCCC(C[C@@H]1[C@@H](O)[C@H](C(=O)O)C[C@@H]1N)C(C)CNC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 1/20 0.34
▸ GABRR1 P24046 1/20 0.31

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
SCHEMBL7231029 1.00 NEU2 (0.34) NEU2GABRR1
SCHEMBL4414561 0.89 — —
SCHEMBL4422850 0.84 — —
SCHEMBL4413595 0.84 — —
SCHEMBL4411243 0.82 — —
SCHEMBL7231650 0.81 NEU2 (0.32) NEU2
SCHEMBL4415958 0.81 NEU2 (0.32) NEU2
SCHEMBL4423884 0.74 GABRR1 (0.32) NEU2GABRR1
Hydrochloric Acid SCHEMBL4412458 0.73 GABRR1 (0.31) NEU2GABRR1
SCHEMBL7158053 0.70 — —

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 3 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
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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