SCHEMBL4626879

SCHEMBL4626879

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCC(N)C(=O)CC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 17/20 0.85
SLC6A5 Q9Y345 2/20 0.56
EPHX2 P34913 1/20 0.46

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
Lysine SCHEMBL16863679 0.86 NOD1 (0.81) NOD1SLC6A5
D-Glutamate SCHEMBL28260481 0.85 NOD1 (0.82) NOD1SLC6A5
SCHEMBL7931383 0.84 NOD1 (0.82) NOD1SLC6A5
SCHEMBL29440495 0.84 NOD1 (0.82) NOD1SLC6A5
SCHEMBL7934767 0.84 NOD1 (0.82) NOD1SLC6A5
SCHEMBL7931381 0.84 NOD1 (0.82) NOD1SLC6A5
Glutamic Acid SCHEMBL28476146 0.84 NOD1 (0.80) NOD1SLC6A5
SCHEMBL13519153 0.83 NOD1 (0.83) NOD1SLC6A5
SCHEMBL5199992 0.83 NOD1 (0.64) NOD1SLC6A5
SCHEMBL5313103 0.83 NOD1 (0.64) NOD1SLC6A5

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
EP-1753780-B1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS LILLY CO ELI (US) 2008-03-19 EP disclosed