SCHEMBL31369284

SCHEMBL31369284

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.67
▸ NMUR2 Q9GZQ4 3/20 0.64
▸ NMUR1 Q9HB89 3/20 0.64
▸ OPRD1 P41143 7/20 0.63
▸ OPRM1 P35372 3/20 0.63
▸ OPRK1 P41145 3/20 0.63

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
SCHEMBL31369301 0.98 SLC6A2 (0.66) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL31369335 0.96 SLC6A2 (0.70) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL31369289 0.96 SLC6A2 (0.70) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL31369283 0.96 SLC6A2 (0.71) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29418159 0.90 SLC6A2 (0.64) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29353395 0.90 SLC6A2 (0.77) SLC6A2OPRD1OPRM1OPRK1
SCHEMBL29402848 0.90 SLC6A2 (0.77) SLC6A2OPRD1OPRM1OPRK1
SCHEMBL30571136 0.86 NTSR1 (0.60) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL30497929 0.86 OPRM1 (0.64) SLC6A2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29362021 0.86 SLC6A2 (0.70) SLC6A2OPRD1OPRM1OPRK1

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-2025058511-A1 ACYLTRANSFERASE-CATALYSED MODIFICATION OF PEPTIDES ENDOPROTEASE SERVICES B.V. (NL) 2025-03-20 — — WO disclosed
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