SCHEMBL29973308

SCHEMBL29973308

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 2/20 0.48
▸ CD274 Q9NZQ7 2/20 0.48
▸ OPRD1 P41143 16/20 0.45
▸ OPRM1 P35372 10/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ VSIR Q9H7M9 1/20 0.34

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
SCHEMBL29854499 0.92 CD274 (0.52) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL31668833 0.87 FURIN (0.43) PDCD1LG2CD274OPRD1OPRM1
SCHEMBL29840628 0.86 CD274 (0.54) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL29572136 0.82 CD274 (0.59) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL29571501 0.82 CD274 (0.59) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL29379448 0.82 CD274 (0.59) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL31174311 0.82 CD274 (0.59) PDCD1LG2CD274OPRD1OPRM1VSIR
SCHEMBL30563311 0.82 TERT (0.40) OPRD1OPRM1OPRK1
SCHEMBL30425416 0.81 OPRD1 (0.39) PDCD1LG2CD274OPRD1OPRM1OPRK1
SCHEMBL29379867 0.80 OPRD1 (0.43) 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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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