SCHEMBL17253268

C[C@H](CC(=O)O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CC(N)=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.75

▸	DRD1	P21728	1/20	0.75

▸	PTGS1	P23219	1/20	0.75

▸	PDE4A	P27815	1/20	0.75

▸	NPR1	P16066	1/20	0.37

▸	NPR3	P17342	1/20	0.37

▸	PLAU	P00749	2/20	0.36

▸	ALB	P02768	1/20	0.35

▸	ITGB3	P05106	5/20	0.35

▸	ITGAV	P06756	5/20	0.35

▸	ITGB1	P05556	3/20	0.35

▸	ITGA5	P08648	3/20	0.35

▸	ST14	Q9Y5Y6	1/20	0.35

▸	ITGB6	P18564	2/20	0.35

▸	ITGB8	P26012	2/20	0.35

▸	EPHA2	P29317	2/20	0.34

▸	CTSG	P08311	2/20	0.34

▸	MC4R	P32245	1/20	0.34

▸	MC1R	Q01726	1/20	0.34

▸	KLK7	P49862	1/20	0.34

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
SCHEMBL8354294	1.00	CTSL (0.75)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8357546	1.00	CTSL (0.75)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8357548	0.96	CTSL (0.70)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8226890	0.96	CTSL (0.73)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8359017	0.95	CTSL (0.69)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8354165	0.95	CTSL (0.73)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8242524	0.94	CTSL (0.77)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL12124851	0.92	CTSL (0.70)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8221738	0.92	CTSL (0.69)	CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8227164	0.92	CTSL (0.69)	CTSLDRD1PTGS1PDE4ANPR1

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
WO-2015172047-A1	CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS	MERCK SHARP & DOHME CORP. (US)	2015-11-12	—	—	WO	disclosed