SCHEMBL31679384

SCHEMBL31679384

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 14/20 0.52
▸ NTSR2 O95665 13/20 0.52
▸ SORT1 Q99523 12/20 0.52
▸ AGTR1 P30556 3/20 0.50
▸ AGTR2 P50052 3/20 0.50
▸ F2 P00734 1/20 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
SCHEMBL31679341 0.97 AGTR2 (0.52) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679422 0.96 AGTR2 (0.52) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679429 0.95 OPRD1 (0.49) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679358 0.94 AGTR2 (0.50) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679352 0.94 AGTR2 (0.52) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679406 0.94 MAPK8 (0.51) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679438 0.94 AGTR2 (0.53) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679361 0.94 AGTR2 (0.47) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679423 0.94 AGTR2 (0.51) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679436 0.94 NTSR1 (0.54) NTSR1NTSR2SORT1AGTR1AGTR2

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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