SCHEMBL31679466

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=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 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	BACE1	P56817	1/20	0.56

▸	NTSR1	P30989	4/20	0.56

▸	NTSR2	O95665	3/20	0.56

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	NMUR1	Q9HB89	1/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

▸	CALCR	P30988	4/20	0.54

▸	SORT1	Q99523	1/20	0.53

▸	REN	P00797	1/20	0.53

▸	F2	P00734	3/20	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
SCHEMBL31679385	0.93	NTSR1 (0.60)	NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL31679427	0.92	NTSR1 (0.60)	NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL31679459	0.90	NTSR1 (0.61)	NTSR1NTSR2AGTR1AGTR2CALCR
SCHEMBL32677416	0.90	BACE1 (0.60)	BACE1NTSR1NTSR2AGTR1AGTR2
SCHEMBL31679375	0.89	MAPK8 (0.63)	MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL29496648	0.87	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL29420255	0.87	NTSR1 (0.61)	NTSR1NTSR2CALCRSORT1F2
SCHEMBL31679338	0.86	SLC6A2 (0.60)	NTSR1NTSR2SORT1REN
SCHEMBL29604414	0.86	MAPK8 (0.61)	MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL30969929	0.85	F2 (0.58)	NTSR1NTSR2AGTR1AGTR2SORT1

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