SCHEMBL16349774

CCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	11/20	0.51

▸	MC5R	P33032	11/20	0.51

▸	MC3R	P41968	11/20	0.51

▸	MC1R	Q01726	11/20	0.51

▸	CTSG	P08311	2/20	0.50

▸	ITGB3	P05106	3/20	0.50

▸	ITGAV	P06756	3/20	0.50

▸	ITGB1	P05556	1/20	0.50

▸	ITGA5	P08648	1/20	0.50

▸	ITGB5	P18084	1/20	0.50

▸	PLAU	P00749	1/20	0.49

▸	KLKB1	P03952	1/20	0.49

▸	TSLP	Q969D9	1/20	0.46

▸	SLC40A1	Q9NP59	1/20	0.46

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
SCHEMBL13656508	0.96	MC4R (0.51)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL15335358	0.95	CTSG (0.50)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL14962605	0.94	MC4R (0.54)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL12361592	0.94	MC4R (0.51)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL13870335	0.94	MC4R (0.55)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL14845481	0.94	CTSG (0.51)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL10052602	0.93	ITGB3 (0.55)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL22003475	0.93	ITGB3 (0.55)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL16298655	0.93	ITGB3 (0.55)	MC4RMC5RMC3RMC1RCTSG
SCHEMBL9909400	0.93	ITGB3 (0.55)	MC4RMC5RMC3RMC1RCTSG

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-7521419-B2	Peptide-based compounds	GE HEALTHCARE AS (NO)	2009-04-21	—	—	US	disclosed