SCHEMBL31679409

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC2CCCCC2N1C(=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 0.49

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	4/20	0.49

▸	NMUR2	Q9GZQ4	3/20	0.47

▸	NMUR1	Q9HB89	3/20	0.47

▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	1/20	0.44

▸	AGTR2	P50052	5/20	0.44

▸	AGTR1	P30556	4/20	0.44

▸	PRSS1	P07477	1/20	0.42

▸	PRSS2	P07478	1/20	0.42

▸	PRSS3	P35030	1/20	0.42

▸	NTSR2	O95665	2/20	0.42

▸	NTSR1	P30989	2/20	0.42

▸	SORT1	Q99523	1/20	0.42

▸	KEAP1	Q14145	1/20	0.41

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
SCHEMBL31679423	0.92	AGTR2 (0.51)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679415	0.92	MAPK8 (0.47)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679451	0.90	AGTR2 (0.52)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679462	0.90	AGTR2 (0.52)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679350	0.90	OPRD1 (0.51)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679406	0.89	MAPK8 (0.51)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679381	0.89	AGTR2 (0.50)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679388	0.89	OPRD1 (0.50)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679452	0.89	F2 (0.49)	OPRD1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31679412	0.89	MAPK8 (0.50)	OPRD1NMUR2NMUR1MAPK8MAPK9

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