SCHEMBL29564893

SCHEMBL29564893

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
CYP1A2 P05177 2/20 0.48
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC7A5 Q01650 1/20 0.48

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
SCHEMBL3402622 0.89 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16049321 0.84 SLC7A5 (0.58) SLC1A3SLC1A2SLC7A5SLC1A1
SCHEMBL29610258 0.84 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23408823 0.82 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Leucine SCHEMBL10776473 0.81 SLC7A5 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
Glutamic Acid SCHEMBL10776478 0.81 SLC1A1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
D-Glutamate SCHEMBL3512077 0.79 SLC1A3 (0.72) GABRPGABRDGABRA1GABRB1GABRG2
Glutamic Acid SCHEMBL5614072 0.79 SLC1A3 (0.72) GABRPGABRDGABRA1GABRB1GABRG2
Glutamic Acid SCHEMBL1126187 0.79 SLC1A3 (0.72) GABRPGABRDGABRA1GABRB1GABRG2
Glutamic Acid SCHEMBL24357 0.79 SLC1A3 (0.72) GABRPGABRDGABRA1GABRB1GABRG2

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-RE49816-E1 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-01-30 US disclosed
EP-4229075-A1 GPCR SCREENING METHOD TO IDENTIFY NON-HALLUCINOGENIC COMPOUNDS The Regents of the University of California (US) 2023-08-23 EP disclosed
WO-2022081631-A1 GPCR SCREENING METHOD TO IDENTIFY NON-HALLUCINOGENIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed