SCHEMBL757850

SCHEMBL757850

CC(=O)[C@H](CCN)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
GABBR2 O75899 2/20 0.35
GABBR1 Q9UBS5 2/20 0.35
DPP7 Q9UHL4 1/20 0.31
RRM1 P23921 1/20 0.30

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
SCHEMBL21399748 0.88 SIRT6 (0.36) GABRR1DPP7
SCHEMBL26731701 0.87 GABRR1 (0.41) GABRR1GABBR2GABBR1DPP7RRM1
SCHEMBL19605496 0.86 SIRT6 (0.42)
SCHEMBL13233703 0.86 SIRT6 (0.42)
SCHEMBL21166946 0.85 GABRR1 (0.40) GABRR1GABBR2GABBR1DPP7
SCHEMBL12762368 0.85 GABRR1 (0.40) GABRR1GABBR2GABBR1DPP7
SCHEMBL8191952 0.83 GABRR1 (0.52) GABRR1GABBR2GABBR1
SCHEMBL756912 0.83 GABRR1 (0.52) GABRR1GABBR2GABBR1
SCHEMBL21166859 0.80 CA1 (0.34)
SCHEMBL10206348 0.80 HDAC7 (0.37)

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-8138361-B2 C-10 carbamates of taxanes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-03-20 US disclosed