SCHEMBL30033652

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

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.50

▸	NPY2R	P49146	7/20	0.48

▸	NPY4R	P50391	7/20	0.48

▸	NPY5R	Q15761	7/20	0.48

▸	NPY1R	P25929	5/20	0.48

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	CXCR4	P61073	1/20	0.47

▸	PTPN1	P18031	1/20	0.47

▸	RAMP3	O60896	6/20	0.47

▸	CALCR	P30988	6/20	0.47

▸	PTH1R	Q03431	2/20	0.47

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
SCHEMBL30542983	0.94	CXCR4 (0.52)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30034850	0.94	CXCR4 (0.52)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30033879	0.92	CXCR4 (0.49)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30542980	0.92	CXCR4 (0.49)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31067242	0.90	NTSR1 (0.47)	KEAP1MAPK8MAPK9MAPK10CXCR4
SCHEMBL30033898	0.89	TFPI (0.51)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30542978	0.89	TFPI (0.51)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30542981	0.89	TFPI (0.50)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31670629	0.86	KEAP1 (0.50)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31670635	0.86	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RCXCR4

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
CN-111239302-B	Method for obtaining specific peptide fragments by utilizing endoprotease to cut collagen and application	南京中医药大学	2022-08-26	—	—	CN	disclosed