SCHEMBL8243985

CC(C)(C)CC(=O)N[C@H]1CCCC(F)(F)C/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.34

▸	CTSB	P07858	1/20	0.31

▸	ADRB3	P13945	1/20	0.31

▸	ADRA2B	P18089	1/20	0.31

▸	ADRA2C	P18825	1/20	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
SCHEMBL11976185	0.92	CYP3A4 (0.37)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3970620	0.92	CYP3A4 (0.36)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL13610563	0.92	CYP3A4 (0.36)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL8238132	0.89	CYP3A4 (0.36)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL11983929	0.88	CYP3A4 (0.36)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3469852	0.85	CYP3A4 (0.37)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3469848	0.85	CYP3A4 (0.37)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL13610565	0.84	CYP3A4 (0.35)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL3970158	0.84	CYP3A4 (0.35)	CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL13824738	0.84	CTSB (0.36)	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
WO-2007015824-A2	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2007-02-08	—	—	WO	disclosed