SCHEMBL30472840

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	RAMP3	O60896	7/20	0.56

▸	CALCR	P30988	7/20	0.56

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	TFPI	P10646	1/20	0.54

▸	KEAP1	Q14145	1/20	0.54

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
SCHEMBL30472841	0.93	EP300 (0.62)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495607	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL38652510	0.90	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31683337	0.89	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30712958	0.89	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30429234	0.89	EP300 (0.62)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31031556	0.89	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182888	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29836328	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30974484	0.88	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1REP300

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116284249-A	Polypeptide BPKR and application thereof in breast cancer treatment	中国人民解放军空军军医大学	2023-06-23	—	—	CN	disclosed
CN-116284249-A	Polypeptide BPKR and application thereof in breast cancer treatment	中国人民解放军空军军医大学	2023-06-23	—	—	CN	disclosed