SCHEMBL15623630

C#CCC(NC(C)=O)C(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSG	P08311	2/20	0.50

▸	ITGB3	P05106	3/20	0.50

▸	ITGAV	P06756	3/20	0.50

▸	PLAU	P00749	2/20	0.49

▸	MC4R	P32245	7/20	0.49

▸	MC5R	P33032	7/20	0.49

▸	MC3R	P41968	7/20	0.49

▸	MC1R	Q01726	7/20	0.49

▸	TSLP	Q969D9	6/20	0.47

▸	ITGB1	P05556	1/20	0.46

▸	ITGA5	P08648	1/20	0.46

▸	ITGB5	P18084	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
SCHEMBL13430220	0.94	CTSG (0.53)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL12407321	0.93	CTSG (0.53)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13649565	0.88	MC4R (0.55)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL17320143	0.88	ITGB3 (0.52)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13870335	0.85	MC4R (0.55)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13014734	0.85	ITGB3 (0.59)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13214415	0.85	ITGB3 (0.52)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13456599	0.85	CTSG (0.48)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL12353635	0.84	ITGB3 (0.57)	CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13531891	0.84	ITGB3 (0.55)	CTSGITGB3ITGAVPLAUMC4R

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-8679455-B2	Radiolabelling methods	HAMMERSMITH IMANET LIMITED (GB)	2014-03-25	—	—	US	disclosed