SCHEMBL7271506

SCHEMBL7271506

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
CPB2 Q96IY4 4/20 0.47
RNPEP Q9H4A4 1/20 0.43
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
GLO1 Q04760 1/20 0.40
GABRR1 P24046 3/20 0.38
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL5280980 1.00 GSR (0.50) GSRCPB2RNPEPSLC1A1SLC1A3
SCHEMBL28011992 0.85 GSR (0.45) GSRCPB2RNPEPSLC1A1SLC1A3
SCHEMBL482963 0.82 CPB2 (0.44) GSRCPB2RNPEPSLC1A1SLC1A3
SCHEMBL482961 0.82 CPB2 (0.44) GSRCPB2RNPEPSLC1A1SLC1A3
SCHEMBL7272045 0.82 SLC1A1 (0.47) GSRSLC1A1SLC1A3SLC1A2GLO1
SCHEMBL5302678 0.82 SLC1A1 (0.47) GSRSLC1A1SLC1A3SLC1A2GLO1
SCHEMBL7864753 0.80 SLC1A2 (0.50) SLC1A1SLC1A3SLC1A2GLO1SLC7A5
SCHEMBL29126191 0.80 SLC1A2 (0.50) SLC1A1SLC1A3SLC1A2GLO1SLC7A5
SCHEMBL20915027 0.79 GSR (0.44) GSRCPB2RNPEPSLC1A1SLC1A3
SCHEMBL20915026 0.79 GSR (0.44) GSRCPB2RNPEPSLC1A1SLC1A3

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-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed