SCHEMBL29072118

SCHEMBL29072118

[N-]=[N+]=NCCCC[C@@H](NC(=O)CCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.48
▸ GNPAT O15228 1/20 0.45
▸ FOLH1 Q04609 6/20 0.43
▸ C3AR1 Q16581 1/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.42
▸ ALB P02768 3/20 0.40
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL29072117 1.00 NOD1 (0.48) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL24630046 1.00 NOD1 (0.48) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL29335571 0.98 NOD1 (0.50) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL24630082 0.94 NOD1 (0.43) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL29072096 0.94 NOD1 (0.43) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL30634501 0.91 SLC6A5 (0.53) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL17381376 0.90 SLC6A5 (0.55) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL17481432 0.90 NOD1 (0.63) NOD1SLC6A5EPHX2
SCHEMBL23695804 0.89 SLC6A5 (0.57) NOD1GNPATFOLH1C3AR1SLC6A5
SCHEMBL18089437 0.89 NOD1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116744944-A Low-immunogenicity biotherapeutic medicine 奥斯普瑞生物制药有限公司 2023-09-12 — — CN disclosed
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