SCHEMBL29596813

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	CXCR4	P61073	1/20	0.58

▸	GLP1R	P43220	5/20	0.58

▸	GCGR	P47871	3/20	0.57

▸	GIPR	P48546	3/20	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
SCHEMBL31633285	0.95	CALCR (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31633286	0.93	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29596900	0.93	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30668489	0.91	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416036	0.88	MAPK8 (0.63)	CALCRNPY1RMAPK8MAPK9MAPK10
SCHEMBL30646299	0.88	MAPK8 (0.63)	CALCRNPY1RMAPK8MAPK9MAPK10
SCHEMBL30495784	0.88	NPY2R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30975049	0.88	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578732	0.88	NPY2R (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495655	0.87	NMUR2 (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R

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
CN-114437233-A	Directional synthesis method of polypeptide dimer	湖北健翔生物制药有限公司	2022-05-06	—	—	CN	disclosed