SCHEMBL29880330

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.64

▸	EPHA2	P29317	2/20	0.59

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	KDM1A	O60341	2/20	0.55

▸	MAOB	P27338	1/20	0.55

▸	KDM5A	P29375	1/20	0.55

▸	KDM1B	Q8NB78	1/20	0.55

▸	MC4R	P32245	1/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	CXCR4	P61073	1/20	0.55

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
SCHEMBL31356966	0.92	C5AR1 (0.61)	C5AR1MC4R
SCHEMBL30208250	0.91	EPHA2 (0.56)	C5AR1EPHA2NPY2RNPY4RNPY5R
SCHEMBL30437384	0.90	APLNR (0.60)	NPY2RNPY4RNPY5RNPY1RMC4R
SCHEMBL29637944	0.90	C5AR1 (0.65)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29638059	0.90	MC4R (0.61)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29638066	0.90	MC4R (0.61)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29641118	0.89	C5AR1 (0.60)	C5AR1EPHA2MC4R
SCHEMBL29637925	0.89	C5AR1 (0.63)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30233814	0.89	C5AR1 (0.63)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30547344	0.88	EPHA2 (0.55)	C5AR1EPHA2NPY2RNPY4RNPY5R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110540588-B	Epitope polypeptide based on tumor stem cell marker EpCAM and application thereof	香港中文大学	2022-08-23	—	—	CN	claimed
CN-110540588-B	Epitope polypeptide based on tumor stem cell marker EpCAM and application thereof	香港中文大学	2022-08-23	—	—	CN	disclosed
CN-110540588-B	Epitope polypeptide based on tumor stem cell marker EpCAM and application thereof	香港中文大学	2022-08-23	—	—	CN	disclosed