SCHEMBL22747652

C[C@H](NC(=O)CN1CNC(=O)NCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C1=O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR5	P35346	17/20	0.53

▸	SSTR2	P30874	14/20	0.53

▸	SSTR4	P31391	12/20	0.52

▸	SSTR3	P32745	7/20	0.45

▸	SSTR1	P30872	6/20	0.44

▸	EPHA2	P29317	1/20	0.41

▸	RBM17	Q96I25	1/20	0.40

▸	CTSL	P07711	1/20	0.39

▸	DRD1	P21728	1/20	0.39

▸	PTGS1	P23219	1/20	0.39

▸	PDE4A	P27815	1/20	0.39

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
SCHEMBL22747648	0.91	SSTR5 (0.55)	SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL22747689	0.87	SSTR5 (0.56)	SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL22747650	0.79	AKT1 (0.42)	SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL15907430	0.72	SSTR2 (0.47)	SSTR5SSTR2SSTR4SSTR3SSTR1
Veldoreotide SCHEMBL22356703	0.63	SSTR2 (1.00)	SSTR5SSTR2SSTR4SSTR3
Hymenamide J SCHEMBL31603791	0.62	HDAC3 (0.67)	SSTR5SSTR2SSTR4SSTR3
SCHEMBL30527418	0.61	HDAC8 (0.57)	SSTR5SSTR2SSTR4SSTR3
SCHEMBL24433486	0.60	ITGB3 (0.51)	SSTR5SSTR2SSTR4
SCHEMBL22193877	0.60	ITGB3 (0.51)	SSTR5SSTR2SSTR4
SCHEMBL22193994	0.60	ITGB3 (0.51)	SSTR5SSTR2SSTR4

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
EP-3294339-B1	METHODS AND COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS	UNIV MICHIGAN REGENTS (US)	2020-12-02	—	—	EP	disclosed