SCHEMBL31689802

SCHEMBL31689802

CC[C@H](C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.40
▸ OPRM1 P35372 5/20 0.40
▸ OPRK1 P41145 5/20 0.40
▸ PSEN1 P49768 12/20 0.39
▸ PSEN2 P49810 12/20 0.39
▸ APH1B Q8WW43 12/20 0.39
▸ NCSTN Q92542 12/20 0.39
▸ APH1A Q96BI3 12/20 0.39
▸ PSENEN Q9NZ42 12/20 0.39
▸ GLP1R P43220 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ CCKBR P32239 1/20 0.35

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
SCHEMBL31689803 0.94 PSEN1 (0.42) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL30887318 0.93 PSEN1 (0.40) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL31456933 0.90 OPRM1 (0.39) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL38652065 0.89 PSEN1 (0.43) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL30887319 0.88 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31536385 0.88 OPRM1 (0.39) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL29468857 0.86 CTSD (0.41) OPRD1OPRM1PSEN1PSEN2APH1B
SCHEMBL31518747 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247960 0.84 OPRD1 (0.40) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL31247966 0.84 OPRM1 (0.40) OPRD1OPRM1OPRK1PSEN1PSEN2

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
EP-4624486-A1 POLYPEPTIDE HAVING MODIFIED STRUCTURE AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2025-10-01 — — EP disclosed
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