SCHEMBL30974499

SCHEMBL30974499

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.49
▸ SCTR P47872 1/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ CALCR P30988 4/20 0.48
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ F2 P00734 1/20 0.47
▸ OPRD1 P41143 4/20 0.47
▸ CCKAR P32238 3/20 0.47
▸ CCKBR P32239 3/20 0.47
▸ GCGR P47871 1/20 0.47

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
SCHEMBL30974069 0.96 OPRD1 (0.51) GLP1RSCTRCALCROPRD1CCKAR
SCHEMBL30974282 0.94 OPRD1 (0.46) GLP1RSCTRCALCROPRD1CCKAR
SCHEMBL30973998 0.93 F2 (0.49) GLP1RSCTRCALCRF2GCGR
SCHEMBL30974374 0.92 CRHR1 (0.55) GLP1RSCTRCALCRCRHR1CRHR2
SCHEMBL29800072 0.90 F2 (0.46) GLP1RSCTRCALCRCRHR1CRHR2
SCHEMBL30974011 0.90 OPRD1 (0.49) OPRD1CCKARCCKBR
SCHEMBL30524368 0.88 GLP1R (0.55) GLP1RSCTRCALCRGCGR
SCHEMBL30974128 0.88 GLP1R (0.57) GLP1RSCTRCALCROPRD1GCGR
SCHEMBL31031625 0.87 BACE1 (0.46) —
SCHEMBL29802142 0.87 OPRD1 (0.47) GLP1RSCTROPRD1CCKARCCKBR

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 disclosed
Send feedback