SCHEMBL18359783

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)NCCSSc2ccccn2)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR2	P30874	12/20	0.64

▸	SSTR5	P35346	10/20	0.61

▸	SSTR3	P32745	6/20	0.61

▸	SSTR4	P31391	5/20	0.61

▸	SSTR1	P30872	5/20	0.55

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
SCHEMBL18712923	0.94	SSTR2 (0.69)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL17404642	0.94	SSTR2 (0.69)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL19543962	0.94	SSTR2 (0.69)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18359779	0.91	SSTR2 (0.67)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL22183437	0.90	SSTR2 (0.64)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18359872	0.89	SSTR2 (0.75)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18359860	0.89	SSTR2 (0.68)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18359848	0.89	SSTR2 (0.68)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712654	0.89	SSTR2 (0.70)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18360009	0.89	SSTR2 (0.70)	SSTR2SSTR5SSTR3SSTR4SSTR1

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-2017003940-A1	TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF	TARVEDA THERAPEUTICS, INC. (US)	2017-01-05	—	—	WO	disclosed