SCHEMBL30678871

SCHEMBL30678871

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.56
▸ OPRD1 P41143 5/20 0.56
▸ OPRK1 P41145 1/20 0.50
▸ CTSD P07339 1/20 0.49
▸ CTSE P14091 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ F2 P00734 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
SCHEMBL31511420 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1F2
SCHEMBL30678901 0.88 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL29569375 0.86 OPRM1 (0.61) OPRM1OPRD1OPRK1F2
SCHEMBL7767236 0.85 F2 (0.53) OPRM1OPRD1F2
SCHEMBL7767229 0.85 F2 (0.53) OPRM1OPRD1F2
SCHEMBL30844309 0.85 GRB2 (0.54) OPRM1OPRD1OPRK1CTSDCTSE
SCHEMBL29566010 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL30925295 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL29512235 0.83 OPRD1 (0.54) OPRM1OPRD1F2
SCHEMBL30918791 0.83 OPRD1 (0.55) OPRM1OPRD1OPRK1F2

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
CN-117247425-A Preparation and screening method of tartary buckwheat albumin antihypertensive peptide with renin inhibition activity 江南大学 2023-12-19 — — CN disclosed
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