SCHEMBL30648456

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.63

▸	OPRD1	P41143	2/20	0.63

▸	OPRK1	P41145	2/20	0.63

▸	KEAP1	Q14145	1/20	0.63

▸	TFPI	P10646	5/20	0.62

▸	RAMP3	O60896	1/20	0.62

▸	CALCR	P30988	1/20	0.62

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	NMUR2	Q9GZQ4	1/20	0.59

▸	NMUR1	Q9HB89	1/20	0.59

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
SCHEMBL30423064	0.91	KEAP1 (0.69)	OPRM1OPRD1OPRK1KEAP1TFPI
SCHEMBL30495664	0.90	NPY2R (0.69)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL30085017	0.90	CXCR4 (0.60)	OPRM1OPRK1KEAP1TFPINPY2R
SCHEMBL29533414	0.89	TFPI (0.70)	KEAP1TFPIRAMP3CALCRNPY2R
SCHEMBL29903364	0.89	NPY2R (0.68)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL31694487	0.89	KEAP1 (0.68)	OPRM1OPRD1OPRK1KEAP1TFPI
SCHEMBL30432104	0.89	TFPI (0.69)	KEAP1TFPINPY2RNPY4RNPY5R
SCHEMBL31230205	0.88	NPY2R (0.63)	OPRD1KEAP1TFPICALCRNPY2R
SCHEMBL29678305	0.88	IL23R (0.59)	OPRM1OPRD1KEAP1RAMP3CALCR
SCHEMBL30495648	0.88	RAMP3 (0.67)	KEAP1TFPIRAMP3CALCRNPY2R

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