SCHEMBL30648451

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.62

▸	NPY1R	P25929	2/20	0.60

▸	NPY2R	P49146	2/20	0.60

▸	NPY4R	P50391	2/20	0.60

▸	NPY5R	Q15761	2/20	0.60

▸	GLP1R	P43220	5/20	0.57

▸	CCKBR	P32239	2/20	0.57

▸	C5AR1	P21730	1/20	0.57

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	CTSL	P07711	2/20	0.54

▸	CTSS	P25774	2/20	0.54

▸	CTSK	P43235	2/20	0.54

▸	CTSH	P09668	1/20	0.54

▸	CALCR	P30988	3/20	0.53

▸	KEAP1	Q14145	1/20	0.53

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
SCHEMBL30906404	0.95	NPY2R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30277954	0.92	NPY2R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29479816	0.92	NPY2R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906533	0.91	GLP1R (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31000917	0.91	NPY2R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30277947	0.91	GLP1R (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31000923	0.90	GLP1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31000928	0.87	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31000947	0.87	NPY2R (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906509	0.87	NPY2R (0.62)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116948034-B	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2024-06-25	—	—	CN	disclosed
CN-116948034-A	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2023-10-27	—	—	CN	disclosed