SCHEMBL16020757

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)CC5/C=C\CCCCC[C@H](CC(=O)N5CCC(C(F)(F)F)CC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.67

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	1/20	0.67

▸	ADRB3	P13945	1/20	0.51

▸	ADRA2B	P18089	1/20	0.51

▸	ADRA2C	P18825	1/20	0.51

▸	CTSB	P07858	1/20	0.43

▸	CYP3A4	P08684	2/20	0.37

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
SCHEMBL16020758	1.00	CTSS (0.67)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291709	1.00	CTSS (0.67)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291725	0.95	CTSS (0.72)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927407	0.95	CTSS (0.72)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927409	0.95	CTSS (0.72)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291731	0.93	CTSS (0.68)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927450	0.93	CTSS (0.68)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927447	0.93	CTSS (0.68)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927429	0.93	CTSS (0.56)	CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291681	0.93	CTSS (0.56)	CTSSADRB3ADRA2BADRA2CCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2364310-B1	4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION	ACHILLION PHARMACEUTICALS INC (US)	2015-07-29	—	—	EP	disclosed
US-8835456-B1	NS5A inhibitors useful for treating HCV	ACHILLION PHARMACEUTICALS, INC. (US)	2014-09-16	—	—	US	disclosed