SCHEMBL31031545

SCHEMBL31031545

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.58
▸ OPRD1 P41143 4/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52

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
SCHEMBL31031489 0.95 CALCR (0.59) CALCROPRD1OPRM1OPRK1CRHR1
SCHEMBL31031539 0.92 CALCR (0.63) CALCROPRD1OPRM1OPRK1CRHR1
SCHEMBL30495633 0.87 CALCR (0.62) CALCRCRHR1CRHR2KEAP1
SCHEMBL31688332 0.86 OPRM1 (0.61) CALCROPRD1OPRM1OPRK1KEAP1
SCHEMBL30432528 0.86 CALCR (0.68) CALCRCRHR1CRHR2KEAP1
SCHEMBL31688352 0.86 OPRD1 (0.60) OPRD1OPRM1OPRK1KEAP1
SCHEMBL30495646 0.85 CALCR (0.65) CALCRCRHR1CRHR2
SCHEMBL11667808 0.85 CALCR (0.63) CALCROPRD1OPRM1OPRK1CRHR1
SCHEMBL11662149 0.85 CALCR (0.66) CALCROPRD1OPRM1OPRK1CRHR1
SCHEMBL29625266 0.85 OPRK1 (0.54) OPRD1OPRM1OPRK1

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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