SCHEMBL30974044

SCHEMBL30974044

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.51
▸ SCTR P47872 1/20 0.51
▸ CALCR P30988 4/20 0.51
▸ F2 P00734 4/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48

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
SCHEMBL31005062 0.93 GLP1R (0.55) GLP1RSCTRCALCRF2OPRM1
SCHEMBL30973951 0.91 GLP1R (0.53) GLP1RSCTRCALCRF2OPRM1
SCHEMBL30974418 0.90 OPRD1 (0.53) GLP1RSCTRCALCROPRM1OPRD1
SCHEMBL30974489 0.90 OPRD1 (0.49) GLP1RSCTRCALCROPRM1OPRD1
SCHEMBL30635331 0.88 GLP1R (0.60) GLP1RSCTR
SCHEMBL29993692 0.88 OPRD1 (0.57) GLP1RSCTRF2OPRM1OPRD1
SCHEMBL30197156 0.88 GLP1R (0.61) GLP1RSCTR
SCHEMBL26090909 0.88 GLP1R (0.61) GLP1RSCTR
SCHEMBL30637756 0.87 GLP1R (0.57) GLP1RSCTRF2OPRM1OPRD1
SCHEMBL30084576 0.87 OPRD1 (0.49) GLP1RSCTROPRM1OPRD1

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO claimed
Send feedback