SCHEMBL16638259

SCHEMBL16638259

CCCNC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 8/20 0.53
▸ GLP1R P43220 8/20 0.50
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ FNTA P49354 2/20 0.45
▸ FNTB P49356 2/20 0.45
▸ PGGT1B P53609 1/20 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
SCHEMBL16638258 1.00 NOD1 (0.53) NOD1GLP1RITGB3ITGA2BFNTA
SCHEMBL16638272 1.00 NOD1 (0.53) NOD1GLP1RITGB3ITGA2BFNTA
SCHEMBL16638315 0.97 NOD1 (0.56) NOD1GLP1RITGB3ITGA2B
SCHEMBL24776211 0.92 NOD1 (0.50) NOD1GLP1RITGB3ITGA2BFNTA
SCHEMBL7002282 0.91 NOD1 (0.48) NOD1GLP1RITGB3ITGA2BFNTA
SCHEMBL12993536 0.90 NOD1 (0.53) NOD1GLP1RITGB3ITGA2B
SCHEMBL12499995 0.90 ITGB3 (0.54) NOD1GLP1RITGB3ITGA2B
SCHEMBL15975845 0.90 ITGB3 (0.54) NOD1GLP1RITGB3ITGA2B
SCHEMBL16699151 0.90 NOD1 (0.45) NOD1GLP1RITGB3ITGA2BFNTA
SCHEMBL4539085 0.90 NOD1 (0.45) NOD1GLP1RITGB3ITGA2BFNTA

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
US-9006178-B2 Double-acylated GLP-1 derivatives with a linker NOVO NORDISK A/S (DK) 2015-04-14 — — US disclosed
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