SCHEMBL31031586

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

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	CALCR	P30988	7/20	0.53

▸	OPRM1	P35372	2/20	0.53

▸	OPRD1	P41143	2/20	0.53

▸	OPRK1	P41145	2/20	0.53

▸	RAMP3	O60896	3/20	0.51

▸	CXCR4	P61073	1/20	0.51

▸	TFPI	P10646	1/20	0.51

▸	CRHR1	P34998	1/20	0.51

▸	CRHR2	Q13324	1/20	0.51

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
SCHEMBL31031609	0.97	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432133	0.88	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30930139	0.88	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495607	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431793	0.88	NPY2R (0.52)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431868	0.88	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29679720	0.87	CXCR4 (0.49)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30432870	0.87	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29375786	0.87	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431765	0.87	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR

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-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