SCHEMBL6256586

SCHEMBL6256586

NCCCC[C@@H](C(=O)O)N(CC(=O)O)C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
CPB2 Q96IY4 3/20 0.33
CPB1 P15086 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL5884482 0.85 GSR (0.38) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL9326673 0.85 GSR (0.35) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL9748876 0.84 GSR (0.37) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL6045787 0.84 SLC15A2 (0.41) CPB2CPB1ITGB3ITGA2B
SCHEMBL259086 0.83 GSR (0.34) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL5598612 0.83 GSR (0.34) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL5155910 0.82 GSR (0.33) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL1959818 0.82 CPB2 (0.33) GSRCPB2CPB1ITGB3ITGA2B
SCHEMBL8781595 0.81 CPB2 (0.33) GSRCPB2CPB1
SCHEMBL2356078 0.81 CPB2 (0.32) GSRCPB2CPB1

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
WO-2005072292-A2 METHODS FOR ENHANCING RADIATION THERAPY MCTAVISH HUGH (US) 2005-08-11 WO claimed