SCHEMBL31679439

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=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](CCCNC(=N)N)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.57

▸	NMUR1	Q9HB89	4/20	0.57

▸	AGTR1	P30556	1/20	0.56

▸	AGTR2	P50052	1/20	0.56

▸	EPHA2	P29317	2/20	0.56

▸	NTSR2	O95665	5/20	0.55

▸	NTSR1	P30989	5/20	0.55

▸	OPRD1	P41143	3/20	0.54

▸	OPRM1	P35372	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	SORT1	Q99523	4/20	0.54

▸	CALCR	P30988	1/20	0.53

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
SCHEMBL31679430	0.98	AGTR1 (0.57)	NMUR2NMUR1AGTR1AGTR2NTSR2
SCHEMBL31679419	0.95	AGTR2 (0.59)	NMUR2NMUR1AGTR1AGTR2EPHA2
SCHEMBL31679344	0.95	NTSR1 (0.60)	NMUR2NMUR1NTSR2NTSR1OPRD1
SCHEMBL31679375	0.91	MAPK8 (0.63)	NMUR2NMUR1NTSR2NTSR1OPRD1
SCHEMBL31679423	0.91	AGTR2 (0.51)	NMUR2NMUR1AGTR1AGTR2NTSR2
SCHEMBL31679350	0.90	OPRD1 (0.51)	NMUR2NMUR1AGTR1AGTR2NTSR2
Crypeveic SCHEMBL29808766	0.89	AGTR2 (0.59)	AGTR1AGTR2EPHA2NTSR2NTSR1
SCHEMBL31679451	0.89	AGTR2 (0.52)	NMUR2NMUR1AGTR1AGTR2NTSR2
SCHEMBL31679462	0.89	AGTR2 (0.52)	NMUR2NMUR1AGTR1AGTR2NTSR2
SCHEMBL29706203	0.89	MAPK8 (0.56)	NMUR2NMUR1AGTR1AGTR2EPHA2

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