SCHEMBL9770925

SCHEMBL9770925

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.48
GRIK2 Q13002 4/20 0.48
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
ANPEP P15144 3/20 0.34
ENPEP Q07075 3/20 0.34

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
SCHEMBL23241895 1.00 GRIK1 (0.48) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL23241896 1.00 GRIK1 (0.48) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL28202300 0.79 GABRP (0.39) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL6371658 0.79 GABRP (0.39) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL22211292 0.78 GRIK1 (0.44) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL6329384 0.76 SLC22A6 (0.52) GRIK1GRIK2GABRR1SLC22A6HDAC2
SCHEMBL21986677 0.76 GRIK1 (0.41) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL6329381 0.76 SLC22A6 (0.52) GRIK1GRIK2GABRR1SLC22A6HDAC2
SCHEMBL18954915 0.75 GRIK1 (0.70) GRIK1GRIK2
SCHEMBL420881 0.75

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-5045537-A Treating Diseases Caused by Retroviruses SANDOZ LTD. (CH) 1991-09-03 US disclosed