SCHEMBL29664188

SCHEMBL29664188

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 9/20 0.71
▸ SLC6A5 Q9Y345 2/20 0.55
▸ GLP1R P43220 7/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ FAAH O00519 1/20 0.47

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
SCHEMBL28719145 1.00 NOD1 (0.71) NOD1SLC6A5GLP1REPHX2FAAH
SCHEMBL18089437 0.97 NOD1 (0.66) NOD1SLC6A5GLP1REPHX2FAAH
SCHEMBL17481432 0.96 NOD1 (0.63) NOD1SLC6A5GLP1REPHX2FAAH
SCHEMBL23193930 0.93 NOD1 (0.61) NOD1SLC6A5GLP1REPHX2FAAH
SCHEMBL17746988 0.90 NOD1 (0.65) NOD1SLC6A5EPHX2FAAH
SCHEMBL17746989 0.90 NOD1 (0.65) NOD1SLC6A5EPHX2FAAH
SCHEMBL29335571 0.88 NOD1 (0.50) NOD1SLC6A5
SCHEMBL25482680 0.87 NOD1 (0.54) NOD1SLC6A5EPHX2
SCHEMBL25482477 0.87 NOD1 (0.54) NOD1SLC6A5EPHX2
SCHEMBL24630046 0.87 NOD1 (0.48) NOD1SLC6A5EPHX2

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-4003528-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EPHA2 BicycleTX Limited (GB) 2022-06-01 — — EP claimed
EP-4003528-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EPHA2 BicycleTX Limited (GB) 2022-06-01 — — EP disclosed
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