SCHEMBL6878699

COc1c(F)ccc2c(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)nc12

nearest known ligand 0.52

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.52

▸	ADRB3	P13945	1/20	0.48

▸	ADRA2B	P18089	1/20	0.48

▸	ADRA2C	P18825	1/20	0.48

▸	CTSS	P25774	1/20	0.38

▸	CTSB	P07858	1/20	0.37

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
SCHEMBL10060865	1.00	CYP3A4 (0.52)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL6876142	0.95	CYP3A4 (0.51)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL6876493	0.95	CYP3A4 (0.51)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL6877691	0.94	CYP3A4 (0.50)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL16508682	0.94	CYP3A4 (0.50)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL6877547	0.94	CYP3A4 (0.51)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL6880297	0.94	CYP3A4 (0.51)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL12629383	0.93	ADRB3 (0.49)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL10061551	0.93	ADRB3 (0.49)	CYP3A4ADRB3ADRA2BADRA2CCTSS
SCHEMBL16495509	0.92	ADRB3 (0.47)	CYP3A4ADRB3ADRA2BADRA2CCTSS

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-2011063502-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-06-03	—	—	WO	disclosed
WO-2011063501-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-06-03	—	—	WO	disclosed