SCHEMBL31679350

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=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 0.51

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	4/20	0.51

▸	AGTR2	P50052	2/20	0.50

▸	AGTR1	P30556	1/20	0.50

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

▸	NTSR2	O95665	3/20	0.48

▸	NTSR1	P30989	3/20	0.48

▸	NMUR2	Q9GZQ4	4/20	0.48

▸	NMUR1	Q9HB89	4/20	0.48

▸	SORT1	Q99523	2/20	0.47

▸	F2	P00734	1/20	0.47

▸	IL23R	Q5VWK5	1/20	0.47

▸	NPY1R	P25929	1/20	0.46

▸	NPY2R	P49146	1/20	0.46

▸	NPY4R	P50391	1/20	0.46

▸	NPY5R	Q15761	1/20	0.46

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	0.92	AGTR1 (0.57)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679423	0.91	AGTR2 (0.51)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679409	0.90	OPRD1 (0.49)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679406	0.90	MAPK8 (0.51)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679451	0.90	AGTR2 (0.52)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679462	0.90	AGTR2 (0.52)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679439	0.90	NMUR2 (0.57)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679381	0.89	AGTR2 (0.50)	OPRD1AGTR2AGTR1MAPK8MAPK9
SCHEMBL31679344	0.89	NTSR1 (0.60)	OPRD1MAPK8MAPK9MAPK10NTSR2
SCHEMBL31679419	0.89	AGTR2 (0.59)	OPRD1AGTR2AGTR1MAPK8MAPK9

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