SCHEMBL29531957

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

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	4/20	0.66

▸	C5AR1	P21730	1/20	0.64

▸	CXCR4	P61073	3/20	0.61

▸	GLP1R	P43220	10/20	0.59

▸	GCGR	P47871	3/20	0.59

▸	GIPR	P48546	6/20	0.59

▸	MC4R	P32245	1/20	0.59

▸	MC5R	P33032	1/20	0.59

▸	MC3R	P41968	1/20	0.59

▸	MC1R	Q01726	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
SCHEMBL29713985	0.96	IL23R (0.68)	IL23RC5AR1CXCR4GLP1RGIPR
SCHEMBL30001569	0.93	IL23R (0.71)	IL23RCXCR4
SCHEMBL29531669	0.90	IL23R (0.68)	IL23RGLP1RGIPR
SCHEMBL29500420	0.89	IL23R (0.68)	IL23RC5AR1CXCR4GLP1RGCGR
SCHEMBL30658375	0.89	GLP1R (0.68)	CXCR4GLP1RGCGRGIPR
SCHEMBL29436331	0.87	IL23R (0.70)	IL23RC5AR1CXCR4
SCHEMBL13282782	0.87	CXCL8 (0.62)	IL23RC5AR1CXCR4MC4RMC5R
SCHEMBL31593275	0.87	C5AR1 (0.67)	IL23RC5AR1CXCR4GLP1RGCGR
SCHEMBL30415751	0.86	NPY1R (0.66)	IL23RC5AR1CXCR4GLP1RGCGR
SCHEMBL29430215	0.86	IL23R (0.69)	IL23RCXCR4GLP1R

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-114222592-A	Compounds and methods of use	爱丁堡分子成像有限公司	2022-03-22	—	—	CN	disclosed