SCHEMBL31689803

SCHEMBL31689803

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](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 15/20 0.42
▸ PSEN2 P49810 15/20 0.42
▸ APH1B Q8WW43 15/20 0.42
▸ NCSTN Q92542 15/20 0.42
▸ APH1A Q96BI3 15/20 0.42
▸ PSENEN Q9NZ42 15/20 0.42
▸ CTSD P07339 2/20 0.38
▸ REN P00797 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37

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
SCHEMBL31456933 0.95 OPRM1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL38652065 0.95 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31689802 0.94 OPRD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31536385 0.94 OPRM1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30887319 0.94 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247960 0.90 OPRD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247966 0.90 OPRM1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31518747 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31518743 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247969 0.89 ABCB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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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