SCHEMBL31679431

SCHEMBL31679431

C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ EPHA2 P29317 2/20 0.51
▸ NPFFR1 Q9GZQ6 2/20 0.51
▸ NPFFR2 Q9Y5X5 2/20 0.51
▸ ACE P12821 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50

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
SCHEMBL31679347 0.96 OPRM1 (0.55) OPRM1OPRD1NPFFR1NPFFR2SLC6A2
SCHEMBL31679395 0.93 OPRM1 (0.55) OPRM1OPRD1NPFFR1NPFFR2SLC6A2
SCHEMBL31679435 0.92 OPRM1 (0.53) OPRM1OPRD1EPHA2NPFFR1NPFFR2
SCHEMBL31679449 0.92 NMUR2 (0.52) OPRM1OPRD1EPHA2ACENMUR2
SCHEMBL31679402 0.92 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL31679413 0.92 OPRM1 (0.53) OPRM1OPRD1EPHA2NPFFR1NPFFR2
SCHEMBL31679316 0.92 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL31679365 0.91 OPRM1 (0.51) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL31679353 0.91 OPRM1 (0.52) OPRM1OPRD1NPFFR1NPFFR2SLC6A2
SCHEMBL31679484 0.90 SLC6A2 (0.52) OPRM1OPRD1SLC6A2

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-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 — — EP disclosed
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