SCHEMBL3779199

SCHEMBL3779199

CCC(C)C(N)(C(=O)O)C(=O)C(N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
BHMT Q93088 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
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
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 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
SCHEMBL7760300 1.00 KIF11 (0.33) KIF11BHMTGRIK1GRIA4GRIK3
SCHEMBL3779197 1.00 KIF11 (0.33) KIF11BHMTGRIK1GRIA4GRIK3
SCHEMBL3785078 0.84 BHMT (0.35) BHMTGRIK1GRIA4GRIK3GRIK5
SCHEMBL3785075 0.84 BHMT (0.35) BHMTGRIK1GRIA4GRIK3GRIK5
SCHEMBL3780310 0.83 CYP1A2 (0.44) KIF11GRIK1GRIA4GRIK3GRIK5
SCHEMBL3780311 0.83 CYP1A2 (0.44) KIF11GRIK1GRIA4GRIK3GRIK5
SCHEMBL7758881 0.82 BHMT (0.34) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL9447332 0.74 CYP1A2 (0.32) KIF11MEN1ALDH1A1CYP1A2THRB
SCHEMBL10665005 0.74 CYP1A2 (0.32) KIF11MEN1ALDH1A1CYP1A2THRB
SCHEMBL7757143 0.73 MEN1 (0.37) BHMTGRIK1GRIA4GRIK3GRIK5

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
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