SCHEMBL31679438

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](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR2	P50052	5/20	0.53

▸	AGTR1	P30556	4/20	0.53

▸	NTSR1	P30989	9/20	0.51

▸	NTSR2	O95665	7/20	0.51

▸	SORT1	Q99523	5/20	0.50

▸	OPRD1	P41143	2/20	0.49

▸	NPY1R	P25929	1/20	0.49

▸	NPY2R	P49146	1/20	0.49

▸	NPY4R	P50391	1/20	0.49

▸	NPY5R	Q15761	1/20	0.49

▸	SLC6A2	P23975	1/20	0.49

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
SCHEMBL31679433	0.97	NTSR1 (0.54)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679352	0.97	AGTR2 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679348	0.97	AGTR2 (0.54)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679341	0.95	AGTR2 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679481	0.95	OPRD1 (0.55)	AGTR2AGTR1NTSR1NTSR2OPRD1
SCHEMBL31679423	0.94	AGTR2 (0.51)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679422	0.94	AGTR2 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679384	0.94	NTSR1 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679451	0.93	AGTR2 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL31679462	0.93	AGTR2 (0.52)	AGTR2AGTR1NTSR1NTSR2SORT1

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