SCHEMBL13870335

CCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	11/20	0.55

▸	MC5R	P33032	11/20	0.55

▸	MC3R	P41968	11/20	0.55

▸	MC1R	Q01726	11/20	0.55

▸	ITGB3	P05106	3/20	0.55

▸	ITGAV	P06756	3/20	0.55

▸	CTSG	P08311	2/20	0.54

▸	ITGB1	P05556	1/20	0.53

▸	ITGA5	P08648	1/20	0.53

▸	ITGB5	P18084	1/20	0.53

▸	PLAU	P00749	1/20	0.52

▸	KLKB1	P03952	1/20	0.52

▸	CACNA1B	Q00975	1/20	0.51

▸	TSLP	Q969D9	1/20	0.50

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
SCHEMBL13659874	0.98	MC4R (0.56)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13649565	0.96	MC4R (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13531891	0.95	ITGB3 (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL12353635	0.94	ITGB3 (0.57)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13014693	0.94	CTSG (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL16349774	0.94	MC4R (0.51)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13870347	0.94	ITGB3 (0.63)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL9908265	0.94	ITGB3 (0.63)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13870357	0.94	ITGB3 (0.63)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13014846	0.93	ITGB3 (0.58)	MC4RMC5RMC3RMC1RITGB3

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