SCHEMBL13711266

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]2C[C@@]2(C(N)=O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccc(Cl)cc4C3)CN12

nearest known ligand 0.43

Predicted protein targets (top 7)

	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	0.32

▸	PDE4B	Q07343	2/20	0.31

▸	DDB1	Q16531	1/20	0.31

▸	CRBN	Q96SW2	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
SCHEMBL13711080	0.93	ADRB3 (0.37)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL8278232	0.90	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL3969153	0.89	ADRB3 (0.45)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL3969150	0.89	ADRB3 (0.45)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL3969158	0.89	ADRB3 (0.45)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL13711187	0.88	ADRB3 (0.36)	ADRB3ADRA2BADRA2C
SCHEMBL8277106	0.87	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL8293668	0.86	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3970440	0.86	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3966759	0.85	CYP3A4 (0.39)	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-2103623-A2	Novel macrocyclic inhibitors of Hepatitis C virus replication	Intermune, Inc. (US)	2009-09-23	—	—	EP	disclosed