SCHEMBL31031453

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	4/20	0.52

▸	NTSR2	O95665	6/20	0.47

▸	NTSR1	P30989	6/20	0.47

▸	SORT1	Q99523	3/20	0.47

▸	OPRK1	P41145	1/20	0.46

▸	RAMP3	O60896	1/20	0.44

▸	CALCR	P30988	1/20	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
SCHEMBL30626330	0.90	NTSR2 (0.52)	CAPN1NTSR2NTSR1SORT1
SCHEMBL29429185	0.88	NTSR2 (0.49)	CAPN1NTSR2NTSR1SORT1OPRK1
SCHEMBL30399992	0.87	OPRK1 (0.49)	NTSR2NTSR1SORT1OPRK1
SCHEMBL30544033	0.86	CAPN1 (0.48)	CAPN1RAMP3CALCR
SCHEMBL5273015	0.86	OPRK1 (0.51)	NTSR2NTSR1OPRK1
SCHEMBL5273011	0.86	OPRK1 (0.51)	NTSR2NTSR1OPRK1
SCHEMBL29802301	0.86	ACE (0.49)	NTSR2NTSR1OPRK1
SCHEMBL29801966	0.85	ACE (0.51)	NTSR2NTSR1OPRK1
SCHEMBL38659138	0.85	RAMP3 (0.46)	OPRK1RAMP3CALCR
SCHEMBL38659585	0.85	RAMP3 (0.46)	OPRK1RAMP3CALCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	claimed
WO-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed