SCHEMBL30644877

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.60

▸	GLP1R	P43220	6/20	0.55

▸	CCKBR	P32239	1/20	0.55

▸	CALCR	P30988	3/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	VIPR1	P32241	2/20	0.54

▸	VIPR2	P41587	2/20	0.53

▸	OPRL1	P41146	1/20	0.53

▸	ECE1	P42892	1/20	0.52

▸	MUS81	Q96NY9	1/20	0.52

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
SCHEMBL31098023	0.93	OPRD1 (0.60)	BACE1GLP1RCCKBRECE1MUS81
SCHEMBL11564811	0.90	OPRD1 (0.56)	BACE1OPRL1
SCHEMBL31038686	0.90	OPRD1 (0.58)	BACE1GLP1RCCKBRECE1MUS81
SCHEMBL31098050	0.90	CALCR (0.65)	GLP1RCALCRCRHR1CRHR2
SCHEMBL11589163	0.89	OPRL1 (0.56)	GLP1RCRHR1CRHR2OPRL1
SCHEMBL30512625	0.89	BACE1 (0.57)	BACE1OPRL1
SCHEMBL11661183	0.88	OPRL1 (0.56)	BACE1GLP1RCRHR1CRHR2OPRL1
SCHEMBL31575683	0.88	VIPR1 (0.61)	BACE1GLP1RCCKBRCALCRCRHR1
SCHEMBL30432126	0.88	CALCR (0.68)	GLP1RCALCRCRHR1CRHR2
SCHEMBL30431778	0.88	GLP1R (0.59)	BACE1GLP1RCCKBRCALCRCRHR1

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-2023207106-A1	GLP-1/GIP RECEPTOR CO-AGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF	苏州星洲生物科技有限公司	2023-11-02	—	—	WO	disclosed