SCHEMBL29377141

SCHEMBL29377141

N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.61
SLC6A2 P23975 1/20 0.59
OPRD1 P41143 1/20 0.57

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
SCHEMBL29379392 0.96 OPRM1 (0.58) OPRM1SLC6A2OPRD1
SCHEMBL30957418 0.93 SLC6A2 (0.62) OPRM1SLC6A2OPRD1
SCHEMBL29868291 0.92 OPRM1 (0.59) OPRM1SLC6A2OPRD1
SCHEMBL29822494 0.92 OPRM1 (0.60) OPRM1SLC6A2OPRD1
SCHEMBL29737387 0.91 SLC6A2 (0.62) SLC6A2
SCHEMBL31676579 0.91 OPRM1 (0.63) OPRM1SLC6A2OPRD1
SCHEMBL30423227 0.90 OPRM1 (0.74) OPRM1SLC6A2OPRD1
SCHEMBL29571797 0.90 OPRM1 (0.74) OPRM1SLC6A2OPRD1
SCHEMBL4576369 0.89 OPRM1 (0.63) OPRM1SLC6A2OPRD1
SCHEMBL4576363 0.89 OPRM1 (0.63) OPRM1SLC6A2OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12203936-B2 Detection of glutathionylated proteins UNIVERSITEIT MAASTRICHT (NL) 2025-01-21 US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed