SCHEMBL13564296

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2C[C@@H](OC(=O)N3Cc4c(Cl)ccc(Cl)c4C3)CN2C1=O

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.39

▸	ADRB3	P13945	1/20	0.39

▸	ADRA2B	P18089	1/20	0.39

▸	ADRA2C	P18825	1/20	0.39

▸	CTSB	P07858	1/20	0.37

▸	CTSS	P25774	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
SCHEMBL11983897	1.00	CYP3A4 (0.39)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11983942	0.96	CYP3A4 (0.38)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11983980	0.95	CYP3A4 (0.40)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11983914	0.94	CYP3A4 (0.37)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3975083	0.94	CYP3A4 (0.41)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13610562	0.94	CYP3A4 (0.41)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11984226	0.94	CYP3A4 (0.40)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3971055	0.93	CYP3A4 (0.39)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL8279053	0.93	CYP3A4 (0.39)	CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11975898	0.93	CYP3A4 (0.38)	CYP3A4ADRB3ADRA2BADRA2CCTSB

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
US-8299021-B2	Macrocyclic inhibitors of hepatitis C virus replication	INTERMUNE, INC. (US)	2012-10-30	—	—	US	disclosed