SCHEMBL31328325

SCHEMBL31328325

NC(=O)C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ TRHR P34981 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL30254020 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1TRHRSLC6A2
SCHEMBL30254274 0.92 OPRM1 (0.50) OPRM1OPRD1OPRK1TRHRSLC6A2
SCHEMBL29630670 0.86 TRHR (0.42) OPRK1TRHRSLC6A2
SCHEMBL29630369 0.84 TRHR (0.41) OPRM1OPRD1TRHR
SCHEMBL30253903 0.84 SLC6A2 (0.51) OPRM1OPRD1SLC6A2
SCHEMBL30974083 0.84 OPRM1 (0.42) OPRM1OPRD1
SCHEMBL38652354 0.83 SLC6A2 (0.55) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL29591738 0.82 TRHR (0.46) OPRM1OPRD1OPRK1TRHR
SCHEMBL29630592 0.82 TRHR (0.46) OPRM1OPRD1OPRK1TRHR
SCHEMBL29591934 0.82 GRB2 (0.43) OPRM1OPRD1TRHRSLC6A2

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-3720873-B1 GLUCAGON-LIKE PEPTIDES IP2IPO INNOVATIONS LTD (GB) 2024-12-04 — — EP claimed
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