SCHEMBL31679321

SCHEMBL31679321

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)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 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 5/20 0.50
▸ NPFFR1 Q9GZQ6 2/20 0.50
▸ NPFFR2 Q9Y5X5 2/20 0.50
▸ EPHA2 P29317 2/20 0.49
▸ NPY4R P50391 3/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY5R Q15761 2/20 0.48

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
SCHEMBL31679343 0.97 OPRM1 (0.54) OPRM1OPRD1NPFFR1NPFFR2EPHA2
SCHEMBL31679316 0.94 OPRM1 (0.53) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679413 0.94 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2EPHA2
SCHEMBL31679457 0.93 OPRM1 (0.53) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679365 0.93 OPRM1 (0.51) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679446 0.93 OPRD1 (0.48) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679485 0.92 OPRM1 (0.49) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679347 0.91 OPRM1 (0.55) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679402 0.90 OPRM1 (0.53) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL31679339 0.90 OPRM1 (0.47) OPRM1OPRD1NMUR2NMUR1NPFFR1

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