SCHEMBL30681845

SCHEMBL30681845

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(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.87
▸ ECE1 P42892 1/20 0.68
▸ MUS81 Q96NY9 1/20 0.68

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
SCHEMBL30681838 0.94 GLP1R (0.86) GLP1RECE1MUS81
SCHEMBL30979198 0.92 GLP1R (0.75) GLP1RECE1MUS81
SCHEMBL29943233 0.92 GLP1R (0.79) GLP1RECE1MUS81
SCHEMBL31603947 0.92 GLP1R (0.78) GLP1RECE1MUS81
SCHEMBL31000949 0.92 GLP1R (0.75) GLP1RECE1MUS81
SCHEMBL31099254 0.92 GLP1R (0.78) GLP1RECE1MUS81
SCHEMBL29942531 0.90 GLP1R (0.78) GLP1RECE1MUS81
SCHEMBL31099262 0.90 GLP1R (0.84) GLP1R
SCHEMBL30139565 0.90 GLP1R (0.72) GLP1R
SCHEMBL31047778 0.90 GLP1R (0.78) GLP1RECE1MUS81

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-117202936-A Glucagon-like peptide compounds 诺华股份有限公司 2023-12-08 — — CN disclosed
Send feedback