SCHEMBL30598171

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](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](Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	17/20	0.71

▸	NPY1R	P25929	1/20	0.70

▸	NPY2R	P49146	1/20	0.70

▸	NPY4R	P50391	1/20	0.70

▸	NPY5R	Q15761	1/20	0.70

▸	GCGR	P47871	4/20	0.69

▸	GIPR	P48546	1/20	0.67

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
SCHEMBL30598194	0.99	NPY1R (0.71)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30598153	0.99	NPY1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30598183	0.99	NPY1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30598150	0.98	NPY1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706370	0.97	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706329	0.96	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706162	0.96	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706200	0.96	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706218	0.96	GLP1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706211	0.96	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R

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-A9	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	2023-07-27	—	—	WO	disclosed