SCHEMBL31679418

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](CCCCN)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 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	6/20	0.54

▸	AGTR1	P30556	1/20	0.51

▸	AGTR2	P50052	1/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	NTSR1	P30989	6/20	0.51

▸	NTSR2	O95665	4/20	0.51

▸	SORT1	Q99523	2/20	0.51

▸	MAPK8	P45983	1/20	0.49

▸	MAPK9	P45984	1/20	0.49

▸	MAPK10	P53779	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
SCHEMBL31679423	0.95	AGTR2 (0.51)	OPRD1AGTR1AGTR2NTSR1NTSR2
SCHEMBL31679366	0.95	MAPK8 (0.50)	OPRD1AGTR1AGTR2OPRM1OPRK1
SCHEMBL31679360	0.94	OPRD1 (0.55)	OPRD1AGTR1AGTR2OPRM1NTSR1
SCHEMBL31679451	0.94	AGTR2 (0.52)	OPRD1AGTR1AGTR2NTSR1NTSR2
SCHEMBL31679462	0.94	AGTR2 (0.52)	OPRD1AGTR1AGTR2NTSR1NTSR2
SCHEMBL31679406	0.93	MAPK8 (0.51)	OPRD1AGTR1AGTR2NTSR1NTSR2
SCHEMBL31679349	0.93	OPRD1 (0.51)	OPRD1OPRM1
SCHEMBL31679381	0.92	AGTR2 (0.50)	OPRD1AGTR1AGTR2NTSR1NTSR2
SCHEMBL31679388	0.92	OPRD1 (0.50)	OPRD1AGTR1AGTR2OPRM1OPRK1
SCHEMBL31679460	0.91	MAPK8 (0.56)	OPRD1AGTR1AGTR2OPRM1OPRK1

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