SCHEMBL13071875

C=CCCCCC[C@H](Nc1cc(F)cc(C(F)(F)F)c1)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(C4CC4)ccc23)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C=C

nearest known ligand 0.39

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.38

▸	PPP3CB	P16298	1/20	0.38

▸	CYP3A4	P08684	1/20	0.35

▸	CTSS	P25774	1/20	0.33

▸	ABCC1	P33527	1/20	0.30

▸	ABCC2	Q92887	1/20	0.30

▸	ABCG2	Q9UNQ0	1/20	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
SCHEMBL7868337	0.94	CTSB (0.41)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7868822	0.90	CTSB (0.41)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7876319	0.90	CTSB (0.42)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7868815	0.90	CTSB (0.40)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7875012	0.90	CTSB (0.41)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872634	0.89	CTSB (0.42)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872479	0.89	CTSS (0.44)	CTSBPPP3CBCYP3A4CTSS
SCHEMBL7873440	0.88	CTSB (0.42)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872514	0.88	CTSB (0.41)	CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872521	0.88	CTSB (0.43)	CTSBPPP3CBCYP3A4CTSSABCC1

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-2009142842-A9	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2010-11-25	—	—	WO	disclosed
WO-2009142842-A2	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2009-11-26	—	—	WO	disclosed