SCHEMBL30974363

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=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 0.58

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	2/20	0.56

▸	CXCL8	P10145	8/20	0.53

▸	CALCRL	Q16602	2/20	0.53

▸	CALCR	P30988	2/20	0.51

▸	KEAP1	Q14145	1/20	0.50

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
SCHEMBL30974382	0.95	NTSR1 (0.57)	NTSR1CXCL8CALCRLCALCR
SCHEMBL30974085	0.95	NTSR1 (0.53)	NTSR1CXCL8CALCRLKEAP1
SCHEMBL10432709	0.88	NTSR1 (0.58)	NTSR1CXCL8
SCHEMBL10432711	0.88	NTSR1 (0.58)	NTSR1CXCL8
SCHEMBL30974470	0.88	SLC6A2 (0.56)	NTSR1CALCRL
SCHEMBL30432811	0.87	NPY2R (0.60)	CALCR
SCHEMBL30158741	0.86	APLNR (0.54)	NTSR1CXCL8
SCHEMBL30712942	0.86	APLNR (0.59)	CALCR
SCHEMBL29702226	0.86	SLC6A2 (0.62)	CALCRL
SCHEMBL31167350	0.86	NTSR1 (0.56)	NTSR1

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