SCHEMBL30974489

SCHEMBL30974489

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.49
▸ BACE1 P56817 2/20 0.47
▸ IL23R Q5VWK5 1/20 0.46
▸ GLP1R P43220 4/20 0.45
▸ SCTR P47872 1/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ CCKBR P32239 1/20 0.45
▸ CALCR P30988 4/20 0.45
▸ OPRM1 P35372 3/20 0.45
▸ OPRK1 P41145 1/20 0.44
▸ CRHR1 P34998 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44

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
SCHEMBL30973951 0.91 GLP1R (0.53) OPRD1GLP1RSCTRCALCROPRM1
SCHEMBL29993692 0.90 OPRD1 (0.57) OPRD1GLP1RSCTROPRM1OPRK1
SCHEMBL30974044 0.90 GLP1R (0.51) OPRD1GLP1RSCTRCALCROPRM1
SCHEMBL31189098 0.89 OPRD1 (0.48) OPRD1IL23RGLP1RSCTRCALCR
SCHEMBL31005062 0.89 GLP1R (0.55) OPRD1GLP1RSCTRCALCROPRM1
SCHEMBL31412207 0.88 OPRD1 (0.46) OPRD1BACE1GLP1RSCTR
SCHEMBL31159669 0.88 GLP1R (0.49) IL23RGLP1RSCTRCALCR
SCHEMBL30084580 0.87 OPRD1 (0.55) OPRD1BACE1IL23RGLP1RSCTR
SCHEMBL29596587 0.86 OPRM1 (0.55) OPRD1GLP1RSCTRCALCROPRM1
SCHEMBL29596470 0.86 OPRM1 (0.55) OPRD1GLP1RSCTRCALCROPRM1

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
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