SCHEMBL30712975

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

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.59

▸	GCGR	P47871	6/20	0.58

▸	GIPR	P48546	6/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	CALCR	P30988	3/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	CXCR4	P61073	1/20	0.56

▸	CXCL8	P10145	1/20	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
SCHEMBL29742995	0.92	NPY1R (0.62)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL31452902	0.88	CXCR4 (0.59)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658222	0.88	NPY1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30432624	0.88	NPY1R (0.61)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30658305	0.87	NPY1R (0.67)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29742988	0.87	CALCR (0.59)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30495726	0.87	NPY1R (0.63)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29706428	0.87	NPY1R (0.62)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL31073551	0.86	NPY1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182638	0.86	CALCR (0.64)	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
US-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed