SCHEMBL12482133

CNCCCC[C@@H]1NC(=O)CSC(C(=O)C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	10/20	0.49

▸	MC5R	P33032	10/20	0.49

▸	MC3R	P41968	10/20	0.49

▸	MC1R	Q01726	10/20	0.49

▸	ITGB3	P05106	7/20	0.45

▸	ITGAV	P06756	7/20	0.45

▸	ITGB5	P18084	3/20	0.45

▸	ITGB1	P05556	2/20	0.45

▸	ITGA5	P08648	2/20	0.45

▸	CTSG	P08311	1/20	0.44

▸	PLAU	P00749	1/20	0.43

▸	CACNA1B	Q00975	1/20	0.42

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
SCHEMBL13267717	0.94	MC4R (0.48)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL9290489	0.93	MC4R (0.47)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13234838	0.87	MC4R (0.47)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL12148757	0.85	ITGB3 (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL22970320	0.85	ITGB3 (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL10033240	0.83	MC4R (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL11988715	0.82	ITGB3 (0.47)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307274	0.82	MC4R (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL12482122	0.81	MC4R (0.57)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL11988713	0.81	ITGB3 (0.50)	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-7972588-B2	Radiolabelling methods	HAMMERSMITH IMANET LIMITED (GB)	2011-07-05	—	—	US	disclosed