SCHEMBL29848367

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.54

▸	BACE2	Q9Y5Z0	2/20	0.54

▸	VIPR2	P41587	5/20	0.52

▸	VIPR1	P32241	3/20	0.52

▸	KISS1R	Q969F8	3/20	0.51

▸	CALCR	P30988	1/20	0.50

▸	IL23R	Q5VWK5	2/20	0.50

▸	GLP1R	P43220	1/20	0.49

▸	GCGR	P47871	1/20	0.49

▸	GIPR	P48546	1/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL29479828	0.90	VIPR2 (0.58)	VIPR2VIPR1IL23RGLP1RGCGR
SCHEMBL30880889	0.89	BACE1 (0.54)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL31182917	0.88	BACE1 (0.57)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL30880910	0.88	BACE1 (0.55)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL29811062	0.87	IL23R (0.59)	BACE1BACE2VIPR2VIPR1IL23R
SCHEMBL31683306	0.87	GLP1R (0.57)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL29438037	0.87	BACE1 (0.60)	BACE1BACE2VIPR2VIPR1IL23R
SCHEMBL29811053	0.87	IL23R (0.59)	BACE1BACE2VIPR2VIPR1CALCR
SCHEMBL30512512	0.86	VIPR2 (0.53)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL30495710	0.86	IL23R (0.56)	BACE1VIPR2CALCRIL23RGLP1R

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-114874310-B	IgG epitope peptide of whey allergen beta-lactoglobulin	澳优乳业（中国）有限公司	2024-03-26	—	—	CN	disclosed
CN-114874310-A	IgG epitope peptide of whey allergen beta-lactoglobulin	澳优乳业（中国）有限公司	2022-08-09	—	—	CN	disclosed