SCHEMBL30666394

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

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	14/20	0.63

▸	CALCA	P06881	2/20	0.63

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	C5AR1	P21730	1/20	0.57

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	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
SCHEMBL30843899	0.92	CXCR4 (0.63)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31255934	0.91	CXCR4 (0.66)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30666381	0.89	CALCA (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30906444	0.88	CALCA (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30843900	0.88	CALCA (0.62)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31670631	0.88	CALCA (0.56)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30843901	0.88	GLP1R (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31622295	0.87	CXCR4 (0.64)	CXCR4CALCAC5AR1GLP1R
SCHEMBL29867926	0.87	CXCR4 (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31182712	0.87	NPY2R (0.69)	CXCR4CALCANPY1RNPY2RNPY4R

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-117143197-A	Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof	主流源生物科技(上海)有限公司	2023-12-01	—	—	CN	claimed
CN-117143197-A	Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof	主流源生物科技(上海)有限公司	2023-12-01	—	—	CN	disclosed