SCHEMBL3783637

SCHEMBL3783637

CC(C)C[C@](N)(C(=O)O)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
SLC7A5 Q01650 1/20 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
BHMT Q93088 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 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
SCHEMBL3783644 1.00 GRM2 (0.36) GRM2GRM3SLC7A5CACNA2D1CACNB3
SCHEMBL3785917 0.83 CYP1A2 (0.46) GRM2GRM3SLC7A5BHMTSLC1A3
SCHEMBL3785916 0.83 CYP1A2 (0.46) GRM2GRM3SLC7A5BHMTSLC1A3
SCHEMBL7757143 0.81 MEN1 (0.37) GRM2GRM3BHMTSLC1A3SLC1A2
SCHEMBL28462913 0.79 GABRR1 (0.31) GRM2GRM3SLC1A3SLC1A2GRIK1
SCHEMBL3785075 0.74 BHMT (0.35) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3785078 0.74 BHMT (0.35) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5582239 0.74 KMT2A (0.37) GRM2GRM3SLC1A3SLC1A2GRIK1
SCHEMBL7754149 0.73 GRIK1 (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2807597 0.73 GRIK1 (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3127737-A None JP disclosed
JP-62151156-A None JP disclosed
US-7846902-B2 Dipeptide-comprising composition for oral administration KYOWA HAKKO BIO CO., LTD. (JP) 2010-12-07 US disclosed
US-20080305151-A1 Dipeptide-Comprising Composition for Oral Administration KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-11 US disclosed
EP-1941896-A1 DIPEPTIDE-CONTAINING COMPOSITION FOR ORAL ADMINISTRATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-07-09 EP disclosed
JP-H03127737-A BRANCHED-CHAIN AMINO ACID PREPARATION OTSUKA PHARMACEUT FACTORY INC 1991-05-30 JP disclosed
JP-S62151156-A NUTRIENT COMPOSITION AJINOMOTO CO INC 1987-07-06 JP disclosed