SCHEMBL31003041

SCHEMBL31003041

C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 18/20 0.63
▸ OPRM1 P35372 9/20 0.63
▸ OPRK1 P41145 2/20 0.63
▸ BACE1 P56817 1/20 0.54
▸ BACE2 Q9Y5Z0 1/20 0.54
▸ CCKAR P32238 3/20 0.53
▸ CCKBR P32239 3/20 0.53

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
SCHEMBL29858785 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL31038686 0.88 OPRD1 (0.58) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL29797326 0.87 BACE1 (0.59) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL30056577 0.86 NAALAD2 (0.50) OPRD1OPRM1BACE1BACE2
SCHEMBL31098023 0.86 OPRD1 (0.60) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL31243879 0.86 OPRD1 (0.66) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29602768 0.85 OPRM1 (0.62) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL11662144 0.85 OPRD1 (0.60) OPRD1OPRM1OPRK1BACE1CCKAR
SCHEMBL11662136 0.85 OPRD1 (0.60) OPRD1OPRM1OPRK1BACE1CCKAR
SCHEMBL31243870 0.85 OPRD1 (0.62) OPRD1OPRM1OPRK1CCKARCCKBR

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-2024175930-A1 COMPOUNDS IP2IPO INNOVATIONS LIMITED (GB) 2024-08-29 — — WO disclosed
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