Sugi Predict

Sugi Predict / Compounds / SCHEMBL30524330

SCHEMBL30524330

SCHEMBL30524330

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 16/20 0.50
▸ SCTR P47872 1/20 0.50
▸ NPY1R P25929 3/20 0.45
▸ NPY2R P49146 3/20 0.45
▸ NPY4R P50391 3/20 0.45
▸ NPY5R Q15761 3/20 0.45
▸ KEAP1 Q14145 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
SCHEMBL30084579 0.94 GLP1R (0.54) GLP1RSCTR
SCHEMBL9294926 0.92 NPY4R (0.50) GLP1RSCTRNPY1RNPY2RNPY4R
SCHEMBL32677406 0.90 GLP1R (0.43) GLP1RSCTR
SCHEMBL31307935 0.87 GLP1R (0.50) GLP1RSCTRKEAP1
SCHEMBL30590758 0.87 GLP1R (0.43) GLP1RSCTRNPY1RNPY2RNPY4R
SCHEMBL29380560 0.86 NPY4R (0.41) GLP1RSCTRNPY1RNPY2RNPY4R
SCHEMBL32682323 0.86 NPY4R (0.46) GLP1RSCTRNPY1RNPY2RNPY4R
SCHEMBL30655854 0.86 GLP1R (0.53) GLP1RSCTR
SCHEMBL32677414 0.86 GLP1R (0.48) GLP1RSCTR
SCHEMBL30590521 0.86 NPY4R (0.40) GLP1RSCTRNPY1RNPY2RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693653-B Preparation method for large-scale production of somalupeptide 杭州湃肽生化科技有限公司 2023-10-31 — — CN disclosed
CN-116693653-A Preparation method for large-scale production of somalupeptide 杭州湃肽生化科技有限公司 2023-09-05 — — CN disclosed
Send feedback