SCHEMBL21099650

SCHEMBL21099650

CC(=O)CCCNC(=O)CCC(NC(=O)CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.57
▸ GLP1R P43220 8/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ FOLH1 Q04609 4/20 0.49
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45

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
SCHEMBL21099881 0.97 NOD1 (0.57) NOD1GLP1REPHX2FOLH1FNTA
SCHEMBL19786616 0.90 NOD1 (0.69) NOD1GLP1REPHX2
SCHEMBL20215725 0.90 NOD1 (0.69) NOD1GLP1REPHX2
SCHEMBL20215727 0.90 NOD1 (0.69) NOD1GLP1REPHX2
SCHEMBL16273259 0.90 NOD1 (0.59) NOD1GLP1REPHX2FOLH1FNTA
SCHEMBL25874948 0.89 FOLH1 (0.62) NOD1GLP1REPHX2FOLH1
SCHEMBL25874754 0.89 FOLH1 (0.62) NOD1GLP1REPHX2FOLH1
SCHEMBL21966296 0.89 NOD1 (0.71) NOD1GLP1REPHX2
SCHEMBL20146943 0.89 NOD1 (0.71) NOD1GLP1REPHX2
SCHEMBL12686627 0.89 NOD1 (0.71) NOD1GLP1REPHX2

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-2986313-B1 STABLE, PROTRACTED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS FOR MEDICAL USE NOVO NORDISK AS (DK) 2019-06-12 — — EP disclosed
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