SCHEMBL31721844

SCHEMBL31721844

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.53
▸ OPRD1 P41143 3/20 0.53
▸ OPRK1 P41145 1/20 0.51
▸ BACE1 P56817 4/20 0.49
▸ F2 P00734 2/20 0.48
▸ GLP1R P43220 1/20 0.48
▸ SCTR P47872 1/20 0.48
▸ TFPI P10646 1/20 0.47

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
SCHEMBL30342536 0.96 BACE1 (0.51) OPRM1OPRD1BACE1GLP1RSCTR
SCHEMBL31721709 0.95 OPRM1 (0.49) OPRM1OPRD1OPRK1BACE1F2
SCHEMBL30501956 0.91 OPRM1 (0.59) OPRM1OPRD1OPRK1BACE1GLP1R
SCHEMBL30361711 0.90 TFPI (0.56) GLP1RSCTRTFPI
SCHEMBL30184285 0.89 F2 (0.51) OPRM1OPRD1OPRK1BACE1F2
SCHEMBL29849560 0.89 F2 (0.52) OPRM1OPRD1OPRK1BACE1F2
SCHEMBL7628730 0.88 F2 (0.51) OPRM1OPRD1BACE1F2GLP1R
SCHEMBL7628716 0.88 F2 (0.51) OPRM1OPRD1BACE1F2GLP1R
SCHEMBL29798070 0.88 F2 (0.55) BACE1F2GLP1RSCTRTFPI
SCHEMBL31622472 0.87 CALCR (0.55) BACE1F2GLP1RSCTRTFPI

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-2025229200-A1 MANUFACTURE OF DISULFIDE BONDED PEPTIDES BACHEM HOLDING AG (CH) 2025-11-06 — — WO disclosed
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