SCHEMBL20215722

SCHEMBL20215722

CC(C)C(=O)CNC(=O)[C@H](CO)NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.50
▸ NMT2 O60551 2/20 0.47
▸ NMT1 P30419 2/20 0.47
▸ GLP1R P43220 8/20 0.42
▸ GLO1 Q04760 2/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40

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
SCHEMBL19879817 0.94 NOD1 (0.45) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL24276030 0.94 NOD1 (0.45) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL25849917 0.89 NOD1 (0.56) NOD1GLP1R
SCHEMBL17682348 0.88 NOD1 (0.52) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL14167356 0.86 NOD1 (0.50) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL19308014 0.85 NMT1 (0.49) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL16156108 0.85 NOD1 (0.49) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL19867245 0.85 NMT1 (0.49) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL16156102 0.85 NOD1 (0.49) NOD1NMT2NMT1GLP1RGLO1
SCHEMBL19308062 0.84 NOD1 (0.51) NOD1NMT2NMT1GLP1R

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-9988430-B2 Stable GLP-1 based GLP-1/glucagon receptor co-agonists NOVO NORDISK A/S (DK) 2018-06-05 — — US disclosed
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