SCHEMBL29812703

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](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)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.63

▸	CCKBR	P32239	4/20	0.63

▸	CALCR	P30988	4/20	0.59

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	CXCR4	P61073	1/20	0.57

▸	GCGR	P47871	6/20	0.56

▸	GIPR	P48546	6/20	0.56

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
SCHEMBL29706175	0.97	GLP1R (0.64)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29812659	0.93	GLP1R (0.70)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706435	0.92	NPY1R (0.69)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29812633	0.91	GLP1R (0.67)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706295	0.91	GLP1R (0.70)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30272465	0.90	CXCR4 (0.58)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706235	0.89	NPY1R (0.62)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29416120	0.89	GLP1R (0.58)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL29706428	0.88	NPY1R (0.62)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706258	0.86	GLP1R (0.63)	GLP1RCCKBRCALCRNPY1RNPY2R

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