SCHEMBL31679385

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

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	16/20	0.60

▸	NTSR2	O95665	15/20	0.60

▸	SORT1	Q99523	13/20	0.59

▸	AGTR1	P30556	1/20	0.57

▸	AGTR2	P50052	1/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRD1	P41143	1/20	0.57

▸	OPRK1	P41145	1/20	0.57

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.

Compound	similarity	top predicted	shared targets
SCHEMBL31679459	0.97	NTSR1 (0.61)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679427	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679338	0.93	SLC6A2 (0.60)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL31679466	0.93	MAPK8 (0.57)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679375	0.90	MAPK8 (0.63)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL31679434	0.89	MAPK8 (0.61)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL29496648	0.88	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL31679332	0.87	MAPK8 (0.60)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31679443	0.87	MAPK8 (0.61)	NTSR1NTSR2SORT1
SCHEMBL31679465	0.87	NTSR1 (0.62)	NTSR1NTSR2SORT1OPRD1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4610269-A1	UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE	3B Pharmaceuticals GmbH (DE)	2025-09-03	—	—	EP	disclosed