SCHEMBL13711327

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)NCC(C)C)NC(=O)[C@@H]2CCCN12

nearest known ligand 0.53

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.33

▸	ADRA2B	P18089	1/20	0.33

▸	ADRA2C	P18825	1/20	0.33

▸	CYP3A4	P08684	2/20	0.32

▸	CTSS	P25774	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
SCHEMBL8245103	0.94	ADRB3 (0.36)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL13059696	0.94	ADRB3 (0.36)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL12808087	0.89	CYP3A4 (0.32)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13711314	0.88	CTSB (0.38)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL11976325	0.86	CYP3A4 (0.36)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL13059693	0.86	CYP3A4 (0.36)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL12807925	0.85	CYP3A4 (0.34)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13711289	0.85	CYP3A4 (0.33)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11984068	0.85	CYP3A4 (0.34)	ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13059745	0.85	CYP3A4 (0.34)	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