SCHEMBL13711080

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)N3Cc4ccccc4C3)CN12

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.37

▸	ADRA2B	P18089	1/20	0.37

▸	ADRA2C	P18825	1/20	0.37

▸	CYP3A4	P08684	2/20	0.32

▸	PDE4B	Q07343	3/20	0.31

▸	REN	P00797	1/20	0.31

▸	DPP8	Q6V1X1	1/20	0.30

▸	DPP9	Q86TI2	1/20	0.30

▸	NAMPT	P43490	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
SCHEMBL13711187	0.94	ADRB3 (0.36)	ADRB3ADRA2BADRA2C
SCHEMBL8277106	0.94	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL13711266	0.93	ADRB3 (0.36)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL13711189	0.91	ADRB3 (0.37)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL13711267	0.89	ADRB3 (0.40)	ADRB3ADRA2BADRA2CCYP3A4NAMPT
SCHEMBL1655060	0.89	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL1655063	0.89	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL13818335	0.89	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL3799240	0.89	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4PDE4B
SCHEMBL3799238	0.89	ADRB3 (0.46)	ADRB3ADRA2BADRA2CCYP3A4PDE4B

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