SCHEMBL31679452

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1CCCCC1)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 0.49

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	3/20	0.49

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	NPY2R	P49146	3/20	0.44

▸	KEAP1	Q14145	2/20	0.44

▸	NMUR2	Q9GZQ4	2/20	0.44

▸	NMUR1	Q9HB89	2/20	0.44

▸	AGTR1	P30556	1/20	0.44

▸	AGTR2	P50052	1/20	0.44

▸	OPRD1	P41143	2/20	0.44

▸	NTSR2	O95665	2/20	0.44

▸	NTSR1	P30989	2/20	0.44

▸	C5AR1	P21730	1/20	0.43

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	0.95	MAPK8 (0.47)	MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL31679412	0.93	MAPK8 (0.50)	MAPK8MAPK9MAPK10NPY2RKEAP1
SCHEMBL31679441	0.92	NTSR1 (0.51)	MAPK8MAPK9MAPK10KEAP1OPRD1
SCHEMBL31679423	0.91	AGTR2 (0.51)	F2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31679442	0.91	MAPK8 (0.51)	F2MAPK8MAPK9MAPK10NPY2R
SCHEMBL31679451	0.90	AGTR2 (0.52)	F2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31679462	0.89	AGTR2 (0.52)	F2MAPK8MAPK9MAPK10NPY2R
SCHEMBL31679409	0.89	OPRD1 (0.49)	MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL31679406	0.89	MAPK8 (0.51)	F2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31679388	0.88	OPRD1 (0.50)	MAPK8MAPK9MAPK10NPY2RNMUR2

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