SCHEMBL13946868

N[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OCC3CC3)C(=O)N2C1

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.37

▸	ADRB3	P13945	1/20	0.36

▸	ADRA2B	P18089	1/20	0.36

▸	ADRA2C	P18825	1/20	0.36

▸	CTSS	P25774	1/20	0.35

▸	CYP3A4	P08684	2/20	0.32

▸	NAAA	Q02083	2/20	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
SCHEMBL3973075	0.89	CTSB (0.40)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL9909190	0.89	CTSB (0.40)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL9907306	0.88	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3965537	0.88	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13623485	0.83	CTSB (0.38)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL11983977	0.83	ADRB3 (0.43)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13798307	0.82	ADRB3 (0.36)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13610730	0.82	CTSB (0.37)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8247810	0.82	CYP3A4 (0.40)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2235968	0.81	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS

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
US-7491794-B2	Macrocyclic compounds as inhibitors of viral replication	INTERMUNE, INC. (US)	2009-02-17	—	—	US	disclosed