SCHEMBL28051028

SCHEMBL28051028

N[C@@H](CC(Cc1ccccc1)C(=O)OC=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 4/20 0.68
▸ SLC1A3 P43003 2/20 0.68
▸ SLC1A2 P43004 1/20 0.68
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ GRIK1 P39086 3/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ GRM2 Q14416 1/20 0.48
▸ GRM3 Q14832 1/20 0.48
▸ ANPEP P15144 1/20 0.47
▸ RNPEP Q9H4A4 1/20 0.47
▸ DNPEP Q9ULA0 1/20 0.47
▸ GRIK2 Q13002 2/20 0.46
▸ SLC15A1 P46059 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ CPA3 P15088 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44

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
SCHEMBL3830894 0.84 SLC1A1 (0.73) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL27747579 0.82 SLC1A1 (0.46) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL4304049 0.82 SLC1A1 (0.71) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL215141 0.82 SLC7A5 (0.59) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL4421753 0.82 SLC7A5 (0.59) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL2265548 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL133913 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL130817 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL8377822 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
Hydrochloric Acid SCHEMBL9225671 0.80 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2ALPIPKM

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
CN-102365294-B The dipeptide analogue of neurotrophic factor NGF and BDNF UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUKNAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2016-02-17 — — CN disclosed
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