SCHEMBL31644345

SCHEMBL31644345

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.57
▸ OPRM1 P35372 8/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ MME P08473 1/20 0.53
▸ ACE P12821 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ CCKBR P32239 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
SCHEMBL29895656 0.91 NAALAD2 (0.53) OPRD1OPRM1OPRK1MMENAALAD2
SCHEMBL30445825 0.89 OPRD1 (0.52) OPRD1OPRM1OPRK1MME
SCHEMBL29871876 0.89 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL29379340 0.89 NAALAD2 (0.59) OPRD1OPRM1OPRK1ACENAALAD2
SCHEMBL31031528 0.89 NAALAD2 (0.55) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL30987807 0.88 BACE1 (0.53) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL30163211 0.87 NAALAD2 (0.56) MMEACENAALAD2
SCHEMBL29531430 0.87 NAALAD2 (0.62) OPRM1MMEACENAALAD2
SCHEMBL31644070 0.86 OPRD1 (0.62) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30880911 0.84 NAALAD2 (0.57) OPRD1OPRM1OPRK1NAALAD2

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-2025133708-A2 THERAPEUTIC USE OF COMPOSITIONS AND METHODS FOR EPIDERMAL TREATMENT SPECBIO, INC. (US) 2025-06-26 — — WO disclosed
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