SCHEMBL8165850

CC(C)(C)OC(=O)N[C@H]1CCOCC/C=C\[C@@H]2C[C@@]2(C(N)=O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(Cl)c4C3)CN2C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.33

▸	ADRB3	P13945	1/20	0.32

▸	ADRA2B	P18089	1/20	0.32

▸	ADRA2C	P18825	1/20	0.32

▸	DDB1	Q16531	1/20	0.32

▸	CRBN	Q96SW2	1/20	0.32

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
SCHEMBL3470476	0.95	ADRB3 (0.36)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL3470474	0.95	ADRB3 (0.36)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL3470553	0.92	CYP3A4 (0.34)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL3470552	0.92	CYP3A4 (0.34)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL8237411	0.92	ADRB3 (0.39)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL13059546	0.91	ADRB3 (0.32)	CYP3A4ADRB3ADRA2BADRA2CDDB1
SCHEMBL3470438	0.89	CYP3A4 (0.36)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3470441	0.89	CYP3A4 (0.36)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13435725	0.89	CYP3A4 (0.35)	CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3469999	0.89	CYP3A4 (0.35)	CYP3A4ADRB3ADRA2BADRA2C

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-2008137779-A2	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2008-11-13	—	—	WO	disclosed