SCHEMBL9716592

SCHEMBL9716592

CC(C)CC(=O)N(C(=O)CC(C)C)C(CCCN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
CPB2 Q96IY4 5/20 0.38
GSR P00390 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
BLM P54132 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
SCHEMBL9716598 1.00 GABRR1 (0.38) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL9716711 0.95 GSR (0.43) GABRR1CPB2GSRRNPEP
SCHEMBL9716719 0.95 GSR (0.43) GABRR1CPB2GSRRNPEP
SCHEMBL21246737 0.83 GSR (0.42) GABRR1CPB2GSRRNPEP
SCHEMBL4182307 0.82 GABRR1 (0.41) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL9716741 0.82 GABRR1 (0.41) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL9716745 0.82 GABRR1 (0.41) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL4182315 0.82 GABRR1 (0.41) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL4182311 0.82 GABRR1 (0.41) GABRR1CPB2GSRRNPEPSLC1A3
SCHEMBL24312109 0.80 GSR (0.42) GABRR1CPB2GSRRNPEP

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
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed