SCHEMBL29794261

SCHEMBL29794261

NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)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 5/20 0.61
▸ OPRD1 P41143 4/20 0.61
▸ SLC6A2 P23975 1/20 0.56

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
SCHEMBL30637644 1.00 OPRM1 (0.61) OPRM1OPRD1SLC6A2
SCHEMBL31267118 0.88 ITGB1 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL31325182 0.87 OPRM1 (0.65) OPRM1OPRD1SLC6A2
SCHEMBL29607994 0.86 SLC6A2 (0.59) OPRM1OPRD1SLC6A2
SCHEMBL30110409 0.86 OPRM1 (0.49) OPRM1OPRD1SLC6A2
SCHEMBL30423227 0.84 OPRM1 (0.74) OPRM1OPRD1SLC6A2
SCHEMBL29571797 0.84 OPRM1 (0.74) OPRM1OPRD1SLC6A2
SCHEMBL30862234 0.83 SLC6A2 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL18373944 0.83 ACE (0.58) OPRM1OPRD1
SCHEMBL30776088 0.81 SLC6A2 (0.60) OPRM1SLC6A2

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-4041278-A1 ACTIVE POLYPEPTIDE COMPOUND Shaanxi Micot Technology Limited Company (CN) 2022-08-17 — — EP claimed
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