SCHEMBL12808445

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)OCC)NC(=O)[C@@H]2C[C@@H](CC(C)C)CN12

nearest known ligand 0.46

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.36

▸	ADRA2B	P18089	1/20	0.36

▸	ADRA2C	P18825	1/20	0.36

▸	CYP3A4	P08684	2/20	0.31

▸	REN	P00797	1/20	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
SCHEMBL11984174	0.94	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4REN
SCHEMBL12784292	0.90	ADRB3 (0.35)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13711316	0.87	ADRB3 (0.33)	ADRB3ADRA2BADRA2C
SCHEMBL11976295	0.86	ADRB3 (0.45)	ADRB3ADRA2BADRA2CCYP3A4REN
SCHEMBL10254433	0.85	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7924768	0.85	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13630595	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8320089	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3793642	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8037005	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4

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
EP-2305697-A2	Macrocyclic inhibitors of Hepatitis C virus replication	Intermune, Inc. (US)	2011-04-06	—	—	EP	disclosed