SCHEMBL31679441

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCCCN)NC(=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 12)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	2/20	0.51

▸	NTSR2	O95665	1/20	0.51

▸	KEAP1	Q14145	2/20	0.50

▸	OPRD1	P41143	6/20	0.49

▸	IL23R	Q5VWK5	1/20	0.47

▸	MAPK8	P45983	1/20	0.47

▸	MAPK9	P45984	1/20	0.47

▸	MAPK10	P53779	1/20	0.47

▸	OPRM1	P35372	1/20	0.46

▸	OPRK1	P41145	1/20	0.46

▸	VIPR2	P41587	3/20	0.46

▸	VIPR1	P32241	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
SCHEMBL31679415	0.96	MAPK8 (0.47)	NTSR1NTSR2KEAP1OPRD1MAPK8
SCHEMBL31679412	0.94	MAPK8 (0.50)	NTSR1NTSR2KEAP1OPRD1MAPK8
SCHEMBL31679452	0.92	F2 (0.49)	NTSR1NTSR2KEAP1OPRD1MAPK8
SCHEMBL31679423	0.91	AGTR2 (0.51)	NTSR1NTSR2OPRD1IL23RMAPK8
SCHEMBL31679418	0.91	OPRD1 (0.54)	NTSR1NTSR2OPRD1MAPK8MAPK9
SCHEMBL31679366	0.90	MAPK8 (0.50)	OPRD1IL23RMAPK8MAPK9MAPK10
SCHEMBL31679451	0.89	AGTR2 (0.52)	NTSR1NTSR2OPRD1MAPK8MAPK9
SCHEMBL31679462	0.89	AGTR2 (0.52)	NTSR1NTSR2OPRD1IL23RMAPK8
SCHEMBL31679409	0.88	OPRD1 (0.49)	NTSR1NTSR2KEAP1OPRD1MAPK8
SCHEMBL31679349	0.88	OPRD1 (0.51)	KEAP1OPRD1IL23ROPRM1

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