SCHEMBL29713985

CC(=O)N[C@@H](C)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 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	6/20	0.68

▸	C5AR1	P21730	1/20	0.61

▸	GLP1R	P43220	6/20	0.61

▸	GIPR	P48546	6/20	0.61

▸	MC4R	P32245	2/20	0.61

▸	MC5R	P33032	2/20	0.61

▸	MC3R	P41968	2/20	0.61

▸	MC1R	Q01726	2/20	0.61

▸	CALCA	P06881	2/20	0.61

▸	CXCR4	P61073	2/20	0.61

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
SCHEMBL30001569	0.98	IL23R (0.71)	IL23RCALCACXCR4
SCHEMBL29531957	0.96	IL23R (0.66)	IL23RC5AR1GLP1RGIPRMC4R
SCHEMBL29531669	0.94	IL23R (0.68)	IL23RGLP1RGIPR
SCHEMBL13282782	0.92	CXCL8 (0.62)	IL23RC5AR1MC4RMC5RMC3R
SCHEMBL29500420	0.89	IL23R (0.68)	IL23RC5AR1GLP1RGIPRCXCR4
SCHEMBL30658375	0.89	GLP1R (0.68)	GLP1RGIPRCXCR4
SCHEMBL30658297	0.86	C5AR1 (0.68)	C5AR1GLP1RCXCR4
SCHEMBL29430215	0.85	IL23R (0.69)	IL23RGLP1RCXCR4
SCHEMBL29972944	0.85	NPY1R (0.69)	IL23RGLP1RGIPRCALCACXCR4
SCHEMBL31182780	0.85	C5AR1 (0.66)	C5AR1GLP1RGIPRMC4RMC5R

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
EP-3773750-B1	FORMULATION AND METHOD OF PREPARATION	GE HEALTHCARE AS (NO)	2022-04-20	—	—	EP	disclosed