SCHEMBL30974049

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.50

▸	F2	P00734	4/20	0.49

▸	NPY2R	P49146	7/20	0.48

▸	NPY4R	P50391	7/20	0.48

▸	NPY5R	Q15761	7/20	0.48

▸	NPY1R	P25929	5/20	0.48

▸	HCRTR1	O43613	1/20	0.48

▸	HCRTR2	O43614	1/20	0.48

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

▸	ITGB3	P05106	1/20	0.46

▸	ITGAV	P06756	1/20	0.46

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
SCHEMBL30974039	0.93	CALCR (0.55)	CALCRF2CRHR1CRHR2
SCHEMBL29530620	0.88	CRHR1 (0.49)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29530554	0.87	HCRTR1 (0.49)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31031466	0.87	C5AR1 (0.46)	F2ITGB3ITGAV
SCHEMBL29662207	0.86	CALCR (0.52)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30974242	0.86	CALCR (0.62)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29530723	0.85	HCRTR1 (0.49)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL38663742	0.85	F2 (0.54)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29530579	0.85	CRHR1 (0.50)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29530849	0.85	CRHR1 (0.50)	CALCRF2NPY2RNPY4RNPY5R

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