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SCHEMBL29816684

SCHEMBL29816684

C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ OPRD1 P41143 12/20 0.52
▸ OPRM1 P35372 6/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ CCKAR P32238 4/20 0.50
▸ CCKBR P32239 4/20 0.50
▸ ENPEP Q07075 3/20 0.50
▸ APC P25054 1/20 0.48

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
SCHEMBL29630662 0.96 NAALAD2 (0.58) NAALAD2OPRD1OPRM1OPRK1ENPEP
SCHEMBL29695538 0.89 NAALAD2 (0.52) NAALAD2OPRD1OPRM1OPRK1CCKAR
SCHEMBL30547470 0.87 OPRD1 (0.54) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29540311 0.87 NAALAD2 (0.59) NAALAD2OPRD1OPRM1OPRK1ENPEP
SCHEMBL1370956 0.87 NAALAD2 (0.52) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL1374034 0.87 NAALAD2 (0.52) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL30844088 0.86 OPRD1 (0.62) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30898605 0.86 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL31615028 0.86 NAALAD2 (0.65) NAALAD2ENPEP
SCHEMBL30584641 0.85 OPRD1 (0.55) NAALAD2OPRD1OPRM1OPRK1CCKAR

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-2022193902-A1 CYCLIC COMPOUND LIBRARY AND CONSTRUCTION METHOD THEREFOR 亚飞上海生物医药科技有限公司 2022-09-22 — — WO disclosed
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