SCHEMBL30398630

SCHEMBL30398630

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.70
▸ CALCR P30988 2/20 0.65
▸ CRHR1 P34998 1/20 0.65
▸ CRHR2 Q13324 1/20 0.65

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
SCHEMBL31084246 0.98 GLP1R (0.70) GLP1RCALCRCRHR1CRHR2
SCHEMBL30076320 0.95 GLP1R (0.69) GLP1R
SCHEMBL30184797 0.95 GLP1R (0.69) GLP1R
SCHEMBL29692891 0.95 GLP1R (0.69) GLP1R
SCHEMBL29692881 0.95 GLP1R (0.69) GLP1R
SCHEMBL31291000 0.95 GLP1R (0.69) GLP1R
SCHEMBL29692863 0.95 GLP1R (0.69) GLP1R
SCHEMBL30148474 0.95 GLP1R (0.67) GLP1RCALCR
SCHEMBL29692871 0.95 GLP1R (0.69) GLP1R
SCHEMBL29356509 0.95 GLP1R (0.69) GLP1R

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
CN-111269312-B Heterologous fusion protein 鲁南制药集团股份有限公司 2023-05-09 — — CN disclosed
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