SCHEMBL29509248

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

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.64

▸	GLP1R	P43220	10/20	0.62

▸	C5AR1	P21730	1/20	0.61

▸	CXCR4	P61073	3/20	0.59

▸	CTSL	P07711	3/20	0.59

▸	CTSS	P25774	3/20	0.59

▸	CTSK	P43235	3/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	GCGR	P47871	9/20	0.58

▸	GIPR	P48546	6/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

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
SCHEMBL30859276	0.91	NPY1R (0.65)	KEAP1GLP1RC5AR1CXCR4GCGR
SCHEMBL31593288	0.90	C5AR1 (0.63)	GLP1RC5AR1CXCR4CTSLCTSS
SCHEMBL30717268	0.89	C5AR1 (0.65)	KEAP1GLP1RC5AR1CXCR4GCGR
SCHEMBL30116704	0.89	C5AR1 (0.71)	KEAP1GLP1RC5AR1CXCR4GCGR
SCHEMBL29429574	0.89	GLP1R (0.69)	GLP1RC5AR1GCGRGIPRNPY1R
SCHEMBL31182829	0.88	GLP1R (0.73)	KEAP1GLP1RC5AR1GCGRGIPR
SCHEMBL31182586	0.88	GLP1R (0.70)	KEAP1GLP1RC5AR1GCGRGIPR
SCHEMBL31217658	0.87	CALCR (0.75)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL29743005	0.87	KEAP1 (0.62)	KEAP1GLP1RC5AR1GCGRGIPR
SCHEMBL29453930	0.87	APLNR (0.60)	KEAP1GLP1RC5AR1CTSLCTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110684087-B	Lanthionine precursor peptide amyA16, and preparation method and application thereof	河北省科学院生物研究所	2022-03-29	—	—	CN	disclosed