SCHEMBL30974306

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	5/20	0.48

▸	OPRD1	P41143	5/20	0.48

▸	OPRM1	P35372	3/20	0.48

▸	REN	P00797	1/20	0.47

▸	LNPEP	Q9UIQ6	3/20	0.46

▸	ANPEP	P15144	1/20	0.46

▸	NTSR2	O95665	3/20	0.46

▸	SORT1	Q99523	1/20	0.46

▸	AGTR1	P30556	2/20	0.44

▸	AGTR2	P50052	2/20	0.44

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
SCHEMBL30974249	0.89	OPRD1 (0.57)	NTSR1OPRD1OPRM1LNPEPANPEP
SCHEMBL30974232	0.89	REN (0.45)	NTSR1OPRD1OPRM1RENLNPEP
SCHEMBL31005054	0.84	MAPK8 (0.60)	NTSR1NTSR2
SCHEMBL30578358	0.81	OPRM1 (0.49)	NTSR1OPRD1OPRM1REN
SCHEMBL31461846	0.79	REN (0.59)	NTSR1RENNTSR2SORT1
SCHEMBL30946065	0.79	KEAP1 (0.47)	NTSR1OPRD1RENLNPEPANPEP
SCHEMBL31461879	0.78	REN (0.54)	OPRD1OPRM1REN
SCHEMBL30353274	0.78	SLC6A2 (0.54)	OPRD1OPRM1REN
SCHEMBL30696170	0.77	SLC6A2 (0.53)	OPRD1OPRM1REN
SCHEMBL29590343	0.77	SLC6A2 (0.57)	NTSR1OPRD1OPRM1RENNTSR2

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
WO-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed