SCHEMBL30712896

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)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](C)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.63

▸	GLP1R	P43220	10/20	0.63

▸	GCGR	P47871	4/20	0.63

▸	CXCR4	P61073	6/20	0.62

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	KEAP1	Q14145	1/20	0.61

▸	GIPR	P48546	1/20	0.59

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
SCHEMBL30567718	0.92	KEAP1 (0.68)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL30432159	0.90	C5AR1 (0.73)	C5AR1GLP1RGCGRCXCR4NPY1R
SCHEMBL31664364	0.90	NPY1R (0.67)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL29655872	0.90	CXCR4 (0.67)	C5AR1GLP1RGCGRCXCR4KEAP1
SCHEMBL31182778	0.89	GLP1R (0.68)	C5AR1GLP1RGCGRCXCR4NPY1R
SCHEMBL29965030	0.89	C5AR1 (0.74)	C5AR1GLP1RGCGRCXCR4NPY1R
SCHEMBL31664365	0.89	NPY2R (0.69)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL31182493	0.89	GLP1R (0.67)	C5AR1GLP1RGCGRCXCR4NPY1R
SCHEMBL29638062	0.88	GLP1R (0.74)	C5AR1GLP1RGCGRCXCR4NPY1R
SCHEMBL29459909	0.88	C5AR1 (0.67)	C5AR1GLP1RCXCR4

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