SCHEMBL13637240

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)N6CCCCC6)C[C@H]5/C=C\CCCCC[C@H](Nc5ccccc5)C(=O)N4C3)cc(-c3nc(C)cs3)nc2c1C

nearest known ligand 0.57

Predicted protein targets (top 6)

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

▸	ADRA2B	P18089	1/20	0.57

▸	ADRA2C	P18825	1/20	0.57

▸	CTSS	P25774	1/20	0.56

▸	CTSB	P07858	1/20	0.45

▸	CYP3A4	P08684	2/20	0.36

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
SCHEMBL7876540	0.94	CTSS (0.64)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7877112	0.94	CTSS (0.64)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL13637177	0.93	ADRB3 (0.58)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL13637312	0.90	ADRB3 (0.59)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7879336	0.90	CTSS (0.62)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7882898	0.90	CTSS (0.63)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL12844755	0.89	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7877044	0.89	CTSS (0.64)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7876467	0.88	CTSS (0.62)	ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL7872658	0.88	CTSS (0.71)	ADRB3ADRA2BADRA2CCTSSCTSB

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
WO-2009142842-A2	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2009-11-26	—	—	WO	disclosed