SCHEMBL29972944

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

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	CXCR4	P61073	3/20	0.65

▸	GLP1R	P43220	11/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	CALCA	P06881	2/20	0.64

▸	GIPR	P48546	6/20	0.64

▸	IL23R	Q5VWK5	1/20	0.64

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
SCHEMBL29370578	0.96	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30973903	0.93	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29972984	0.93	NPY1R (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30041162	0.91	CALCA (0.64)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30906424	0.91	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29625326	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30932197	0.90	GLP1R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30523133	0.90	GLP1R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29843747	0.89	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29973367	0.89	CXCL8 (0.62)	GLP1RGCGRGIPRIL23R

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed