SCHEMBL30648457

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.69

▸	NMBR	P28336	2/20	0.65

▸	GRPR	P30550	2/20	0.65

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	GLP1R	P43220	9/20	0.64

▸	CCKBR	P32239	2/20	0.61

▸	CXCR4	P61073	3/20	0.61

▸	IL23R	Q5VWK5	1/20	0.60

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
SCHEMBL29742994	0.91	C5AR1 (0.73)	C5AR1NMBRGRPRNPY1RNPY2R
SCHEMBL31182774	0.91	GLP1R (0.65)	C5AR1NMBRGRPRNPY1RNPY2R
SCHEMBL30432809	0.91	GLP1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29625335	0.91	NPY1R (0.69)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29903369	0.90	C5AR1 (0.67)	C5AR1NMBRGRPRNPY1RNPY2R
SCHEMBL31182660	0.90	NPY1R (0.70)	C5AR1NMBRGRPRNPY1RNPY2R
SCHEMBL30607279	0.90	NPY1R (0.68)	C5AR1NMBRGRPRNPY1RNPY2R
SCHEMBL30658220	0.90	GLP1R (0.72)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182507	0.90	NPY1R (0.72)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658219	0.89	NPY2R (0.71)	C5AR1NPY1RNPY2RNPY4RNPY5R

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