SCHEMBL16449305

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4cccc(F)c34)CN2C1=O)c1ccon1

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.42

▸	CYP3A4	P08684	2/20	0.38

▸	ADRB3	P13945	1/20	0.38

▸	ADRA2B	P18089	1/20	0.38

▸	ADRA2C	P18825	1/20	0.38

▸	CTSS	P25774	1/20	0.36

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
SCHEMBL13976008	0.92	CTSB (0.43)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13975610	0.92	CYP3A4 (0.42)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL16449328	0.91	CTSB (0.43)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL16449319	0.90	CTSB (0.43)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL16449318	0.90	CTSB (0.42)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2130584	0.89	CTSB (0.40)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2130590	0.89	CTSB (0.40)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL16449310	0.89	CTSB (0.42)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2133152	0.89	CTSB (0.41)	CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2133145	0.89	CTSB (0.41)	CTSBCYP3A4ADRB3ADRA2BADRA2C

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-8951964-B2	Phenanthridine macrocyclic hepatitis C serine protease inhibitors	ABBVIE INC. (US)	2015-02-10	—	—	US	disclosed