SCHEMBL30258085

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.55

▸	MC4R	P32245	1/20	0.54

▸	MC5R	P33032	1/20	0.54

▸	MC3R	P41968	1/20	0.54

▸	MC1R	Q01726	1/20	0.54

▸	CXCR4	P61073	1/20	0.53

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	KISS1R	Q969F8	4/20	0.52

▸	C5AR1	P21730	1/20	0.51

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
SCHEMBL30258020	0.96	CXCL8 (0.56)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL38662279	0.87	KISS1R (0.58)	CXCR4KISS1RC5AR1
SCHEMBL30218939	0.86	CXCR4 (0.65)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30797902	0.85	CXCR4 (0.58)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30432327	0.85	DPP3 (0.55)	CXCL8
SCHEMBL31410653	0.84	CXCR4 (0.56)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30798008	0.84	MC4R (0.58)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30797905	0.84	MC4R (0.58)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30173921	0.84	MC4R (0.58)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL31029901	0.84	CXCR4 (0.54)	MC4RMC5RMC3RMC1RCXCR4

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-3332807-B1	USE OF ANTI IL-1BETA ANTIBODIES	NOVARTIS AG (CH)	2023-02-22	—	—	EP	disclosed