SCHEMBL30974464

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.58

▸	RAMP3	O60896	1/20	0.54

▸	CALCR	P30988	1/20	0.54

▸	NTSR2	O95665	8/20	0.53

▸	NTSR1	P30989	8/20	0.53

▸	SORT1	Q99523	7/20	0.52

▸	CAPN1	P07384	2/20	0.52

▸	CALCRL	Q16602	1/20	0.52

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
SCHEMBL30974051	0.94	SLC6A2 (0.62)	SLC6A2NTSR2NTSR1SORT1CAPN1
SCHEMBL31005073	0.92	SLC6A2 (0.64)	SLC6A2NTSR2NTSR1SORT1CALCRL
SCHEMBL30786569	0.88	SLC6A2 (0.58)	SLC6A2CALCRL
SCHEMBL29591075	0.88	SLC6A2 (0.64)	SLC6A2NTSR2NTSR1SORT1
Reltecimod SCHEMBL29430066	0.86	CXCL8 (0.53)	CALCRNTSR2NTSR1CALCRL
SCHEMBL30676234	0.86	SLC6A2 (0.58)	SLC6A2NTSR2NTSR1SORT1
SCHEMBL29802489	0.85	SLC6A2 (0.60)	SLC6A2NTSR2NTSR1SORT1
SCHEMBL31307275	0.84	RAMP3 (0.62)	SLC6A2RAMP3CALCRNTSR2NTSR1
SCHEMBL31257015	0.84	SLC6A2 (0.62)	SLC6A2NTSR2NTSR1SORT1CALCRL
SCHEMBL30898602	0.84	NTSR1 (0.60)	NTSR2NTSR1SORT1

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