SCHEMBL4052420

SCHEMBL4052420

CC(CN)CC(C=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
SLC7A5 Q01650 2/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 1/20 0.32
ENPEP Q07075 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL27482302 0.81 SLC1A3 (0.33) SLC7A5ADRA1ASLC1A3SLC1A2SLC1A1
SCHEMBL3968790 0.78 RNPEP (0.46) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL27928260 0.76 TP53 (0.39) GABRR1SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL11449757 0.76 NAALAD2 (0.43) GABRR1SLC7A5ENPEPRNPEP
SCHEMBL27679365 0.74 CTSK (0.33)
SCHEMBL6706683 0.74 CTSK (0.33)
SCHEMBL27815325 0.74 RNPEP (0.43) SLC7A5SLC1A3SLC1A2SLC1A1ENPEP
SCHEMBL11491423 0.73 GABRR1 (0.52) GABRR1SLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL2868545 0.73 GABRR1 (0.52) GABRR1SLC7A5CACNA2D1CACNB3CACNA1C
Acetic Acid SCHEMBL8630630 0.71 GABBR2 (0.46) GABRR1SLC7A5CACNA2D1CACNB3CACNA1C

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-2373344-B1 COMBINED DRUG ADMINISTRATION HOFFMANN LA ROCHE (CH) 2016-03-30 EP claimed
WO-2009103164-A1 ANTI-OBESITY COMPOSITIONS COMPRISING ORLISTAT AND VARIOUS NATURAL PRODUCTS NORTHERN INNOVATIONS AND FORMULATIONS CORP. (CA) 2009-08-27 WO disclosed
US-20090214682-A1 Composition and methods for weight loss in a subject IOVATE T & P. INC. (CA) 2009-08-27 US disclosed