SCHEMBL9958019

CC(C)(C)OC(=O)NC1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4ccccc34)CN2C1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.45

▸	CYP3A4	P08684	3/20	0.44

▸	ADRB3	P13945	1/20	0.43

▸	ADRA2B	P18089	1/20	0.43

▸	ADRA2C	P18825	1/20	0.43

▸	CTSS	P25774	1/20	0.38

▸	HRH3	Q9Y5N1	1/20	0.31

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
SCHEMBL13975791	0.95	CYP3A4 (0.45)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2799877	0.94	CTSB (0.44)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2795960	0.93	CTSB (0.44)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3061908	0.93	CTSB (0.46)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3061906	0.93	CTSB (0.46)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3068076	0.92	CTSB (0.47)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2158796	0.92	CTSB (0.47)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3068070	0.92	CTSB (0.47)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL7898493	0.92	CYP3A4 (0.45)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2797855	0.92	CYP3A4 (0.45)	CTSBCYP3A4ADRB3ADRA2BADRA2C

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-2468285-B1	Macrocyclic hepatitis C serine protease inhibitors	ENANTA PHARM INC (US)	2014-10-15	—	—	EP	disclosed
EP-2468285-A1	Macrocyclic hepatitis C serine protease inhibitors	Enanta Pharmaceuticals, Inc. (US)	2012-06-27	—	—	EP	disclosed