SCHEMBL14049098

COC(=O)Cc1cc(O[C@@H]2C[C@H]3C(=O)N[C@H](CC(=O)OC)CCC=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)c2ccc(OC)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.39

▸	ADRA2B	P18089	1/20	0.39

▸	ADRA2C	P18825	1/20	0.39

▸	PDE4B	Q07343	3/20	0.34

▸	ABCG2	Q9UNQ0	6/20	0.34

▸	ABCB1	P08183	3/20	0.34

▸	ABCC1	P33527	3/20	0.34

▸	CTSB	P07858	1/20	0.33

▸	CYP3A4	P08684	2/20	0.33

▸	CYP1A2	P05177	1/20	0.32

▸	CYP2C9	P11712	1/20	0.32

▸	CYP2C19	P33261	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
SCHEMBL14049100	0.88	CTSB (0.34)	ADRB3ADRA2BADRA2CABCG2ABCB1
SCHEMBL8286931	0.88	CTSB (0.34)	ADRB3ADRA2BADRA2CABCG2ABCB1
SCHEMBL8284935	0.87	ADRB3 (0.35)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14049427	0.86	ADRB3 (0.51)	ADRB3ADRA2BADRA2CPDE4BCTSB
SCHEMBL14438722	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CPDE4BABCG2
SCHEMBL14031126	0.83	ADRB3 (0.40)	ADRB3ADRA2BADRA2CPDE4BABCG2
SCHEMBL8286046	0.80	ADRB3 (0.49)	ADRB3ADRA2BADRA2CPDE4BCTSB
SCHEMBL14049377	0.78	GAA (0.36)	ADRB3ADRA2BADRA2CPDE4B
SCHEMBL14031195	0.77	ADRB3 (0.52)	ADRB3ADRA2BADRA2CPDE4BCTSB
SCHEMBL13915585	0.77	ADRB3 (0.52)	ADRB3ADRA2BADRA2CPDE4BCTSB

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-7442695-B2	Depeptidized inhibitors of hepatitis C virus NS3 protease	SCHERING CORPORATION (US)	2008-10-28	—	—	US	disclosed