SCHEMBL29957288

SCHEMBL29957288

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
SLC1A3 P43003 8/20 0.41
SLC1A2 P43004 8/20 0.41
SLC1A1 P43005 8/20 0.41

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
SCHEMBL12843923 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL398123 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL398124 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL2030960 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL1536307 0.98 SLC7A5 (0.46) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL25661066 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL31369938 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL30062853 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL8715906 0.80 SLC7A5 (0.46) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL31369953 0.80 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed