SCHEMBL29913899

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.62

▸	GCGR	P47871	1/20	0.62

▸	GIPR	P48546	1/20	0.62

▸	TLR2	O60603	4/20	0.59

▸	KISS1R	Q969F8	3/20	0.58

▸	CCKBR	P32239	1/20	0.58

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	BACE1	P56817	1/20	0.57

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
SCHEMBL30631721	1.00	GLP1R (0.62)	GLP1RGCGRGIPRTLR2KISS1R
SCHEMBL11205934	0.92	TLR2 (0.58)	GLP1RGCGRGIPRTLR2BACE1
SCHEMBL29983511	0.91	GLP1R (0.62)	GLP1RGCGRGIPRCCKBRECE1
SCHEMBL29694498	0.91	GLP1R (0.60)	GLP1RGCGRGIPRTLR2KISS1R
SCHEMBL29360549	0.90	GLP1R (0.66)	GLP1RGCGRGIPRTLR2CCKBR
SCHEMBL38652639	0.89	GLP1R (0.61)	GLP1RGCGRGIPRTLR2CCKBR
SCHEMBL29393291	0.89	GLP1R (0.69)	GLP1RGCGRGIPRTLR2KISS1R
SCHEMBL29393860	0.88	GLP1R (0.70)	GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31666092	0.88	GLP1R (0.61)	GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31666091	0.88	GLP1R (0.61)	GLP1RGCGRGIPRCCKBRECE1

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
WO-2022191252-A1	METHOD FOR PRODUCING CYSTEINE KNOT PROTEIN	住友ファーマ株式会社	2022-09-15	—	—	WO	disclosed