SCHEMBL30724494

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.74

▸	GLP1R	P43220	8/20	0.73

▸	GCGR	P47871	3/20	0.73

▸	MC4R	P32245	1/20	0.66

▸	MC5R	P33032	1/20	0.66

▸	MC3R	P41968	1/20	0.66

▸	MC1R	Q01726	1/20	0.66

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	NMBR	P28336	1/20	0.64

▸	GRPR	P30550	1/20	0.64

▸	KEAP1	Q14145	1/20	0.64

▸	PTH1R	Q03431	1/20	0.63

▸	CCKBR	P32239	2/20	0.63

▸	CXCR4	P61073	3/20	0.63

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
SCHEMBL29737187	0.98	C5AR1 (0.75)	C5AR1GLP1RGCGRMC4RMC5R
SCHEMBL30845539	0.95	C5AR1 (0.72)	C5AR1GLP1RGCGRMC4RMC5R
SCHEMBL30082666	0.95	GLP1R (0.73)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL31544061	0.94	C5AR1 (0.73)	C5AR1GLP1RGCGRMC4RMC5R
SCHEMBL29587969	0.93	GLP1R (0.73)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL30578647	0.93	GLP1R (0.73)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL30017682	0.92	C5AR1 (0.77)	C5AR1GLP1RGCGRMC4RMC5R
SCHEMBL31182680	0.92	GLP1R (0.74)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL29755703	0.92	GLP1R (0.72)	C5AR1GLP1RGCGRMC4RMC5R
SCHEMBL29973172	0.92	C5AR1 (0.77)	C5AR1GLP1RGCGRMC4RMC5R

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-117357777-A	Microneedle patch for treating multiple sclerosis and application thereof	重庆国际免疫创新中心有限公司	2024-01-09	—	—	CN	disclosed