SCHEMBL30712903

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[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(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.65

▸	GLP1R	P43220	10/20	0.64

▸	CCKBR	P32239	2/20	0.64

▸	CALCR	P30988	4/20	0.64

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	CALCA	P06881	1/20	0.60

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
SCHEMBL30712940	0.93	GLP1R (0.68)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL30567706	0.93	GLP1R (0.70)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL10587346	0.91	CXCR4 (0.65)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL30958882	0.91	CALCR (0.69)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30831408	0.91	NPY1R (0.68)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL31073551	0.90	NPY1R (0.69)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29393488	0.90	NPY1R (0.62)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL31590312	0.90	CXCR4 (0.64)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29949577	0.90	CXCR4 (0.69)	CXCR4GLP1RCALCRNPY1RNPY2R
SCHEMBL31148836	0.90	CALCR (0.70)	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
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