SCHEMBL28014783

SCHEMBL28014783

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
DPP4 P27487 1/20 0.46
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL16774720 1.00 SLC7A5 (0.48) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL25246132 0.86 DPP4 (0.47) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL18339143 0.86 DPP4 (0.47) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL9788538 0.83 DPP4 (0.35) SLC7A5DPP4
SCHEMBL30522084 0.83 DPP4 (0.56) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL3338673 0.83 DPP4 (0.56) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL28014074 0.82 SLC1A3 (0.46) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL27701226 0.77 SLC7A5 (0.39) SLC7A5DPP4GABRPGABRDGABRA1
SCHEMBL7175770 0.72 GABRP (0.39) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Edetic Acid SCHEMBL1131582 0.72 SLC7A5 (0.60) SLC7A5DPP4SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540959-B Preparation method of gamma-glutamyl valyl glycine crystal 味之素株式会社 2018-11-13 CN disclosed
CN-104540959-A Preparation method of gamma-glutamyl valyl glycine crystal AJINOMOTO KK 2015-04-22 CN disclosed