SCHEMBL13563304

CC(C)(C)OC(=O)N[C@H]1CCCCCC=C=C[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)NC2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(Cl)c4C3)CN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.31

▸	ADRB3	P13945	1/20	0.31

▸	ADRA2B	P18089	1/20	0.31

▸	ADRA2C	P18825	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
SCHEMBL13563303	0.99	CYP3A4 (0.32)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13563305	0.92	CYP3A4 (0.32)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11975906	0.92	ADRB3 (0.37)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11975905	0.92	ADRB3 (0.37)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13563296	0.91	CYP3A4 (0.31)	CYP3A4
SCHEMBL13563217	0.90	ADRB3 (0.36)	ADRB3ADRA2BADRA2C
SCHEMBL13563302	0.89	CYP3A4 (0.32)	CYP3A4
SCHEMBL13563311	0.89	—	—
SCHEMBL13563293	0.87	CYP3A4 (0.34)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13563295	0.87	CYP3A4 (0.33)	CYP3A4ADRB3ADRA2BADRA2C

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