Glycine

Glycine

SCHEMBL7316336

CC(=O)Br.NCC(=O)O.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Glycine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.61
ITGA2B P08514 7/20 0.61
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59
CTSL P07711 4/20 0.57
CTSB P07858 3/20 0.57
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
TACR1 P25103 2/20 0.55

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
Glycine SCHEMBL5719481 0.94 ITGB3 (0.67) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL7318257 0.94 ALDH1A1 (0.65) ITGB3ITGA2BALDH1A1ALOX15CTSL
Glycine SCHEMBL7320734 0.93 ITGB3 (0.61) ITGB3ITGA2BALDH1A1ALOX15CTSL
Phenylalanine SCHEMBL7317243 0.90 ALDH1A1 (0.59) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL7326041 0.89 CTSL (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL220648 0.87 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL7372270 0.87 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL219151 0.87 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL479010 0.87 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL26661077 0.87 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL

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
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed