SCHEMBL11926094

N=C(N)NCCC[C@@H]1CC(=O)[C@@H]2CSSC[C@@H](C(=O)CCCOCCOCCOCCCC(=O)COCC(N)=O)NC(=O)[C@H](Cc3ccccc3)CC(=O)[C@H](CSCC(=O)N[C@@H](CCCCNC(=O)c3ccc4c(c3)C3(OC4=O)c4ccc(O)cc4Oc4cc(O)ccc43)C(=O)N2)NC(=O)[C@H](CC(=O)O)CC(=O)CNC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	4/20	0.44

▸	MC1R	Q01726	4/20	0.44

▸	MC5R	P33032	3/20	0.44

▸	MC3R	P41968	3/20	0.44

▸	ITGB3	P05106	2/20	0.42

▸	ITGAV	P06756	2/20	0.42

▸	GRB2	P62993	2/20	0.37

▸	OXTR	P30559	5/20	0.35

▸	AVPR1A	P37288	5/20	0.35

▸	AVPR1B	P47901	4/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	MDM2	Q00987	2/20	0.34

▸	CTSG	P08311	2/20	0.34

▸	ESR1	P03372	1/20	0.34

▸	PRMT5	O14744	1/20	0.33

▸	WDR77	Q9BQA1	1/20	0.33

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
SCHEMBL11926077	0.99	MC4R (0.44)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL11926098	0.92	MC4R (0.44)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL11926073	0.85	MC4R (0.46)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL10015501	0.83	ITGB3 (0.47)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL11929552	0.82	ITGB3 (0.57)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL13007906	0.81	ITGB3 (0.44)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL12918070	0.80	ITGB3 (0.47)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL11988189	0.79	ITGB3 (0.46)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL2600689	0.79	ITGB3 (0.47)	MC4RMC1RMC5RMC3RITGB3
SCHEMBL12918063	0.79	ITGB3 (0.47)	MC4RMC1RMC5RMC3RITGB3

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-8236283-B2	Optical imaging	GE HEALTHCARE AS (NO)	2012-08-07	—	—	US	disclosed