SCHEMBL6875218

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)CC5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(OC(C)C)nc2c1C

nearest known ligand 0.57

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.57

▸	ADRA2B	P18089	1/20	0.57

▸	ADRA2C	P18825	1/20	0.57

▸	CYP3A4	P08684	2/20	0.51

▸	CTSS	P25774	1/20	0.46

▸	CTSB	P07858	1/20	0.38

▸	PDE4B	Q07343	2/20	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
SCHEMBL10060798	1.00	ADRB3 (0.57)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6876461	0.95	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6880425	0.95	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6877299	0.95	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16508689	0.95	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16508661	0.94	ADRB3 (0.51)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL12629745	0.94	ADRB3 (0.50)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6880297	0.94	CYP3A4 (0.51)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL10060800	0.94	ADRB3 (0.50)	ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6877547	0.94	CYP3A4 (0.51)	ADRB3ADRA2BADRA2CCYP3A4CTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2011063501-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-06-03	—	—	WO	disclosed
WO-2011063502-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-06-03	—	—	WO	disclosed