SCHEMBL31246276

SCHEMBL31246276

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GIPR P48546 20/20 0.75
GLP1R P43220 19/20 0.75
GCGR P47871 7/20 0.75

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
SCHEMBL31246305 0.96 GLP1R (0.75) GIPRGLP1RGCGR
SCHEMBL31246293 0.96 GLP1R (0.79) GIPRGLP1R
SCHEMBL31246284 0.96 GLP1R (0.79) GIPRGLP1R
SCHEMBL31246299 0.96 GLP1R (0.79) GIPRGLP1R
SCHEMBL30425751 0.96 GLP1R (0.79) GIPRGLP1R
SCHEMBL31246306 0.95 GLP1R (0.72) GIPRGLP1RGCGR
SCHEMBL31246294 0.95 GLP1R (0.72) GIPRGLP1RGCGR
SCHEMBL29616532 0.94 GLP1R (0.80) GIPRGLP1RGCGR
SCHEMBL31246279 0.94 GLP1R (0.71) GIPRGLP1RGCGR
SCHEMBL30111163 0.93 GLP1R (0.80) GIPRGLP1R

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
EP-3601329-B1 GIP RECEPTOR ACTIVATING PEPTIDE TAKEDA PHARMACEUTICALS CO (JP) 2024-12-04 EP claimed
EP-3601329-B1 GIP RECEPTOR ACTIVATING PEPTIDE TAKEDA PHARMACEUTICALS CO (JP) 2024-12-04 EP disclosed