SCHEMBL31679449

SCHEMBL31679449

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ ACE P12821 7/20 0.49
▸ ACE2 Q9BYF1 4/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 5/20 0.45
▸ CTSD P07339 1/20 0.45
▸ CTSE P14091 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ EPHA2 P29317 1/20 0.44

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
SCHEMBL31679431 0.92 OPRM1 (0.54) NMUR2NMUR1ACEOPRM1OPRD1
SCHEMBL31679316 0.92 OPRM1 (0.53) NMUR2NMUR1OPRM1OPRD1
SCHEMBL31679365 0.90 OPRM1 (0.51) NMUR2NMUR1OPRM1OPRD1
SCHEMBL31679354 0.90 NMUR2 (0.47) NMUR2NMUR1ACEOPRM1OPRD1
SCHEMBL31679485 0.89 OPRM1 (0.49) NMUR2NMUR1OPRM1OPRD1
SCHEMBL31679484 0.89 SLC6A2 (0.52) OPRM1OPRD1
SCHEMBL31679347 0.88 OPRM1 (0.55) NMUR2NMUR1OPRM1OPRD1
SCHEMBL31679402 0.88 OPRM1 (0.53) NMUR2NMUR1OPRM1OPRD1
SCHEMBL31679339 0.87 OPRM1 (0.47) NMUR2NMUR1OPRM1OPRD1
SCHEMBL29410183 0.87 OPRM1 (0.54) ACEACE2OPRM1OPRD1OPRK1

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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