SCHEMBL30974085

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	1/20	0.53

▸	CALCRL	Q16602	3/20	0.53

▸	SLC6A2	P23975	1/20	0.52

▸	CXCL8	P10145	10/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	F2	P00734	2/20	0.49

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
SCHEMBL30974363	0.95	NTSR1 (0.56)	NTSR1CALCRLCXCL8KEAP1
SCHEMBL30974382	0.93	NTSR1 (0.57)	NTSR1CALCRLCXCL8
SCHEMBL30974470	0.90	SLC6A2 (0.56)	NTSR1CALCRLSLC6A2
SCHEMBL30423478	0.89	NTSR1 (0.55)	NTSR1CALCRLCXCL8F2
SCHEMBL30094362	0.88	SLC6A2 (0.54)	SLC6A2CXCL8
SCHEMBL30690065	0.88	SLC6A2 (0.59)	NTSR1CALCRLSLC6A2CXCL8
SCHEMBL30059638	0.88	SLC6A2 (0.63)	NTSR1CALCRLSLC6A2KEAP1
SCHEMBL38665591	0.86	SLC6A2 (0.59)	NTSR1CALCRLSLC6A2CXCL8
SCHEMBL31167350	0.86	NTSR1 (0.56)	NTSR1F2
SCHEMBL29616319	0.85	SLC6A2 (0.53)	SLC6A2CXCL8F2

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	claimed