SCHEMBL30974086

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.65

▸	F2	P00734	4/20	0.61

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	GLP1R	P43220	3/20	0.58

▸	SCTR	P47872	1/20	0.58

▸	CALCR	P30988	2/20	0.58

▸	MC4R	P32245	1/20	0.58

▸	GCGR	P47871	2/20	0.58

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
SCHEMBL31005064	0.96	C5AR1 (0.63)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30974236	0.95	C5AR1 (0.61)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30973953	0.94	C5AR1 (0.63)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974342	0.92	NPY2R (0.63)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30607449	0.91	CALCR (0.64)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30974546	0.91	C5AR1 (0.60)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30432128	0.90	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30432646	0.90	CALCR (0.67)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30607329	0.90	F2 (0.68)	C5AR1F2NPY1RGLP1RCALCR
SCHEMBL30752384	0.89	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R

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