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Sugi Predict / Compounds / SCHEMBL16309319

SCHEMBL16309319

SCHEMBL16309319

C=C(CCOCCOCCNC(=O)CCC(NC(=O)CCC(NC(=O)CCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)O)C(=O)O)CCC(=O)NCCCC[C@H](NP)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.42
▸ FOLH1 Q04609 8/20 0.36
▸ ALB P02768 2/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ GLO1 Q04760 1/20 0.31

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
SCHEMBL16309301 0.93 GLP1R (0.49) GLP1RFOLH1GLO1
SCHEMBL16290274 0.87 GLP1R (0.41) GLP1RFOLH1ALBCA9NOD1
SCHEMBL13034781 0.87 GLP1R (0.43) GLP1RFOLH1NOD1GLO1
SCHEMBL3657246 0.87 GLP1R (0.41) GLP1RFOLH1NOD1GLO1
SCHEMBL1117291 0.87 GLP1R (0.41) GLP1RFOLH1ALBCA9NOD1
SCHEMBL8053827 0.86 GLP1R (0.43) GLP1RFOLH1ALBCA9NOD1
SCHEMBL16919253 0.86 GLP1R (0.41) GLP1RFOLH1ALBCA9NOD1
SCHEMBL1678928 0.86 GLP1R (0.41) GLP1RFOLH1ALBCA9NOD1
SCHEMBL24734313 0.85 GLP1R (0.51) GLP1R
SCHEMBL12674187 0.85 ALB (0.33) GLP1RFOLH1ALBCA9NOD1

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-2190460-B1 PEPTIDES DERIVATIZED WITH A-B-C-D- AND THEIR THERAPEUTICAL USE NOVO NORDISK AS (DK) 2014-12-17 — — EP disclosed
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