SCHEMBL14586181

CC(C)(C)OC(=O)N[C@H]1CCCOC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2CC(Oc3nccc4ccccc34)CN2C1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	4/20	0.46

▸	CTSB	P07858	1/20	0.37

▸	ADRB3	P13945	1/20	0.35

▸	ADRA2B	P18089	1/20	0.35

▸	ADRA2C	P18825	1/20	0.35

▸	CTSS	P25774	1/20	0.33

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
SCHEMBL14586518	1.00	CYP3A4 (0.46)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586151	0.92	CYP3A4 (0.49)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586490	0.92	CYP3A4 (0.49)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3701958	0.92	CYP3A4 (0.50)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586515	0.92	CYP3A4 (0.50)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL13924311	0.92	CYP3A4 (0.50)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3701957	0.92	CYP3A4 (0.50)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586182	0.92	CYP3A4 (0.50)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586534	0.92	CYP3A4 (0.48)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL14586176	0.92	CYP3A4 (0.48)	CYP3A4CTSBADRB3ADRA2BADRA2C

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-7173004-B2	Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus	BRISTOL-MYERS SQUIBB COMPANY (US)	2007-02-06	—	—	US	disclosed