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SCHEMBL20122043

SCHEMBL20122043

CC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NI)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 4/20 0.58
▸ FOLH1 Q04609 1/20 0.54
▸ NOD1 Q9Y239 5/20 0.48
▸ GLP1R P43220 8/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL18375484 0.88 ALB (0.56) ALBFOLH1NOD1GLP1RSMN1; SMN2
SCHEMBL12964947 0.87 ALB (0.55) ALBFOLH1NOD1GLP1RSMN1; SMN2
SCHEMBL17040366 0.86 ALB (0.55) ALBFOLH1NOD1GLP1RSMN1; SMN2
SCHEMBL23157341 0.86 GLP1R (0.54) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL21110602 0.86 GLP1R (0.54) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL23157321 0.86 GLP1R (0.54) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL15451405 0.84 NOD1 (0.62) ALBFOLH1NOD1GLP1R
SCHEMBL14685805 0.84 ALB (0.52) ALBFOLH1NOD1GLP1RSMN1; SMN2
SCHEMBL17040363 0.84 ALB (0.52) ALBFOLH1NOD1GLP1RSMN1; SMN2
SCHEMBL17359223 0.84 ALB (0.52) ALBFOLH1NOD1GLP1RSMN1; SMN2

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-9963496-B2 Stable glucagon analogues and use for treatment of hypoglycaemia NOVO NORDISK A/S (DK) 2018-05-08 — — US disclosed
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