SCHEMBL30382803

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.61

▸	KISS1R	Q969F8	4/20	0.60

▸	CXCL8	P10145	5/20	0.60

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.57

▸	CALCR	P30988	3/20	0.57

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
SCHEMBL31182464	0.88	GLP1R (0.62)	CXCR4KISS1RCXCL8NPY1RNPY2R
SCHEMBL29855927	0.88	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906500	0.87	NPY1R (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436762	0.87	IL23R (0.72)	CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL30607355	0.87	CALCR (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30648494	0.86	CALCR (0.65)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30648477	0.86	GLP1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182631	0.86	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182657	0.85	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RCCKBR
SCHEMBL30906504	0.85	GLP1R (0.66)	CXCR4CXCL8NPY1RNPY2RNPY4R

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-115950861-A	Polypeptide-metal cluster probe and application thereof in preparation of kit for sorting drug-resistant cells and/or quantitatively detecting cell membrane protein	北京工业大学	2023-04-11	—	—	CN	disclosed