SCHEMBL30523581

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	C5AR1	P21730	2/20	0.60

▸	KDM1A	O60341	2/20	0.57

▸	NPY2R	P49146	6/20	0.56

▸	NPY4R	P50391	6/20	0.56

▸	NPY5R	Q15761	6/20	0.56

▸	NPY1R	P25929	4/20	0.56

▸	F2	P00734	1/20	0.56

▸	CXCR4	P61073	1/20	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
SCHEMBL31386975	0.99	CALCR (0.63)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL29637925	0.95	C5AR1 (0.63)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL29647453	0.95	C5AR1 (0.62)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL30148163	0.95	C5AR1 (0.62)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL30523596	0.95	C5AR1 (0.62)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL29637944	0.93	C5AR1 (0.65)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL31386983	0.91	C5AR1 (0.58)	CALCRC5AR1KDM1ANPY2RNPY4R
SCHEMBL30432183	0.90	F2 (0.59)	CALCRKDM1ANPY2RNPY4RNPY5R
SCHEMBL31691514	0.87	APLNR (0.62)	CALCRC5AR1NPY2RNPY1RF2
SCHEMBL31452911	0.87	CALCR (0.65)	CALCRC5AR1NPY2RNPY4RNPY5R

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-117567564-A	Polypeptide derivative and preparation method and application thereof	山东省农业科学院	2024-02-20	—	—	CN	disclosed
CN-116496353-A	Polypeptide derivative and preparation method and application thereof	山东省农业科学院	2023-07-28	—	—	CN	disclosed