SCHEMBL13564289

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)C2C[C@@H](OC(=O)N3Cc4cccc(Cl)c4C3)CN2C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.43

▸	ADRA2B	P18089	1/20	0.43

▸	ADRA2C	P18825	1/20	0.43

▸	CYP3A4	P08684	2/20	0.33

▸	DDB1	Q16531	1/20	0.33

▸	CRBN	Q96SW2	1/20	0.33

▸	RAMP1	O60894	3/20	0.30

▸	CALCRL	Q16602	3/20	0.30

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
SCHEMBL11975732	1.00	ADRB3 (0.43)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL8237411	0.95	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL11975773	0.94	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13563225	0.94	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL17970111	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL8161544	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL498005	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL498004	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3970772	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL13610303	0.93	ADRB3 (0.44)	ADRB3ADRA2BADRA2CCYP3A4DDB1

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