SCHEMBL31063872

SCHEMBL31063872

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ BACE1 P56817 6/20 0.43
▸ PSMB1 P20618 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB10 P40306 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ CTSD P07339 2/20 0.41

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
SCHEMBL30799953 0.93 BACE1 (0.51) OPRD1BACE1CTSD
SCHEMBL30799789 0.91 BACE1 (0.51) BACE1CTSD
SCHEMBL29882808 0.90 OPRD1 (0.50) OPRD1OPRM1OPRK1BACE1
SCHEMBL29456530 0.90 OPRD1 (0.50) OPRD1OPRM1OPRK1BACE1
SCHEMBL30254038 0.88 BACE1 (0.38) OPRD1OPRM1BACE1CTSD
SCHEMBL30567410 0.88 BACE1 (0.38) OPRD1OPRM1BACE1CTSD
SCHEMBL29655487 0.88 BACE1 (0.54) OPRD1OPRM1BACE1CTSD
SCHEMBL30746746 0.88 OPRD1 (0.49) OPRD1OPRM1OPRK1BACE1
SCHEMBL29430954 0.87 OPRD1 (0.35) OPRD1OPRM1OPRK1BACE1
SCHEMBL29470189 0.86 OPRD1 (0.46) 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
WO-2024137913-A1 COMPOSITIONS AND METHODS FOR SELF-ADJUVANTING AAV VACCINES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2024-06-27 — — WO disclosed
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