SCHEMBL30974356

SCHEMBL30974356

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ OPRL1 P41146 6/20 0.40
▸ KISS1R Q969F8 3/20 0.39
▸ PRMT1 Q99873 1/20 0.39

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
SCHEMBL30974217 0.97 PDCD1LG2 (0.45) PDCD1LG2CD274OPRM1OPRD1OPRK1
SCHEMBL29736361 0.91 TFPI (0.44) PDCD1LG2CD274KEAP1OPRL1PRMT1
SCHEMBL30974512 0.90 TFPI (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL31064776 0.90 PDCD1LG2 (0.48) PDCD1LG2CD274KISS1R
SCHEMBL29736084 0.88 PDCD1LG2 (0.46) PDCD1LG2CD274KEAP1OPRL1KISS1R
SCHEMBL30443571 0.88 OPRM1 (0.46) PDCD1LG2CD274OPRM1OPRD1OPRK1
SCHEMBL30575176 0.88 PRMT1 (0.42) PDCD1LG2CD274OPRM1OPRD1OPRK1
SCHEMBL29736145 0.87 TFPI (0.46) KEAP1OPRL1PRMT1
SCHEMBL29736056 0.87 TFPI (0.46) KEAP1OPRL1PRMT1
SCHEMBL30117177 0.87 PDCD1LG2 (0.42) PDCD1LG2CD274KISS1R

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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