SCHEMBL30974342

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)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)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	C5AR1	P21730	1/20	0.62

▸	CALCR	P30988	6/20	0.56

▸	RAMP3	O60896	2/20	0.56

▸	MC4R	P32245	1/20	0.56

▸	F2	P00734	1/20	0.56

▸	TFPI	P10646	1/20	0.56

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)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30973953	0.96	C5AR1 (0.63)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30974236	0.94	C5AR1 (0.61)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30974086	0.92	C5AR1 (0.65)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30974546	0.91	C5AR1 (0.60)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30607303	0.89	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432646	0.88	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30818417	0.88	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30176467	0.88	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30033780	0.88	C5AR1 (0.55)	NPY2RNPY4RNPY5RNPY1RC5AR1

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