SCHEMBL28011992

SCHEMBL28011992

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
CPB2 Q96IY4 4/20 0.42
RNPEP Q9H4A4 1/20 0.39
GABRR1 P24046 2/20 0.39
SLC7A5 Q01650 1/20 0.38
GLO1 Q04760 1/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
PAOX Q6QHF9 1/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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 0.85 GSR (0.50) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL7271506 0.85 GSR (0.50) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL28897084 0.82 GRIK1 (0.49) SLC1A3SLC1A2SLC1A1
SCHEMBL11906677 0.82 GSR (0.40) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL11909794 0.82 GSR (0.40) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL3173525 0.82 GSR (0.47) GSRCPB2RNPEPPAOX
SCHEMBL482963 0.81 CPB2 (0.44) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL482961 0.81 CPB2 (0.44) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL8513310 0.77 GSR (0.39) GSRCPB2RNPEPGABRR1SLC7A5
SCHEMBL2420751 0.75 GSR (0.48) GSRCPB2RNPEPGABRR1SLC7A5

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
CN-116947858-A Compounds selectively inhibiting four amino acid modifications of ADP, preparation and application thereof 首都医科大学 2023-10-27 CN disclosed
CN-104583232-A Glucagon analogs exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2015-04-29 CN disclosed
CN-104583233-A Analogs of glucagon exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2015-04-29 CN disclosed