SCHEMBL30804655

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.66

▸	CTSL	P07711	3/20	0.61

▸	CTSS	P25774	3/20	0.61

▸	CTSK	P43235	3/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	RAMP3	O60896	4/20	0.58

▸	CALCR	P30988	4/20	0.58

▸	CXCL8	P10145	2/20	0.57

▸	GLP1R	P43220	3/20	0.56

▸	GCGR	P47871	3/20	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
SCHEMBL31182943	0.89	CXCR4 (0.64)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29867926	0.89	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495836	0.88	GLP1R (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974492	0.88	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29394617	0.88	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29542708	0.87	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452904	0.87	CTSL (0.62)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30706293	0.87	CXCR4 (0.62)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30428853	0.86	KEAP1 (0.64)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30974336	0.86	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R

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-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed