SCHEMBL12964946

SCHEMBL12964946

CCCCNC(=O)CC[C@@H](C=O)NC(=O)CCC(NC(=O)CC[C@@H](C=O)NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 15/20 0.63
▸ GLP1R P43220 5/20 0.44

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
SCHEMBL12964825 0.94 NOD1 (0.56) NOD1
SCHEMBL12295243 0.89 NOD1 (0.52) NOD1GLP1R
SCHEMBL12964748 0.88 NOD1 (0.51) NOD1GLP1R
SCHEMBL12964949 0.88 NOD1 (0.51) NOD1GLP1R
SCHEMBL12964931 0.88 NOD1 (0.51) NOD1GLP1R
SCHEMBL12964830 0.88 NOD1 (0.51) NOD1GLP1R
SCHEMBL12295889 0.86 NOD1 (0.59) NOD1GLP1R
SCHEMBL12964829 0.84 NOD1 (0.47) NOD1GLP1R
SCHEMBL5076647 0.82 NOD1 (0.64) NOD1
SCHEMBL5076646 0.82 NOD1 (0.64) NOD1

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-2012130866-A1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK A/S (DK) 2012-10-04 — — WO disclosed
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