SCHEMBL29812911

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	14/20	0.65

▸	CCKBR	P32239	2/20	0.65

▸	CALCR	P30988	3/20	0.62

▸	GIPR	P48546	6/20	0.61

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

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
SCHEMBL29706185	0.98	GLP1R (0.65)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29812880	0.98	GLP1R (0.67)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29812751	0.98	GLP1R (0.63)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29812848	0.97	GLP1R (0.64)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29706160	0.97	GLP1R (0.67)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29706258	0.96	GLP1R (0.63)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29706132	0.96	GLP1R (0.66)	GLP1RCCKBRGIPRNPY1RNPY2R
SCHEMBL29706356	0.95	GLP1R (0.65)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706271	0.95	GLP1R (0.64)	GLP1RCCKBRCALCRGIPRNPY1R
SCHEMBL29812667	0.95	GLP1R (0.66)	GLP1RCCKBRGIPRNPY1RNPY2R

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-2022111713-A1	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2022-06-02	—	—	WO	disclosed