SCHEMBL13536255

COC(=O)[C@@]12CC1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](Oc3cc(C(C)=O)nc4c(C)cccc34)C[C@H]1C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.58

▸	ADRA2B	P18089	1/20	0.58

▸	ADRA2C	P18825	1/20	0.58

▸	CYP3A4	P08684	2/20	0.35

▸	CTSB	P07858	1/20	0.35

▸	CTSS	P25774	1/20	0.35

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
SCHEMBL8293918	0.95	ADRB3 (0.59)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509460	0.95	ADRB3 (0.58)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8293665	0.95	ADRB3 (0.59)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509467	0.93	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13540003	0.93	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509465	0.92	ADRB3 (0.55)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509445	0.88	ADRB3 (0.55)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509448	0.88	ADRB3 (0.57)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509472	0.87	ADRB3 (0.55)	ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13509474	0.87	ADRB3 (0.56)	ADRB3ADRA2BADRA2CCYP3A4CTSB

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
US-7642235-B2	Macrocyclic peptides active against the hepatitis C virus	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2010-01-05	—	—	US	disclosed
US-7642235-B2	Macrocyclic peptides active against the hepatitis C virus	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2010-01-05	—	—	US	disclosed