SCHEMBL13435861

Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OCC4(C)CC4)C(=O)N3C1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.38

▸	ADRA2B	P18089	1/20	0.38

▸	ADRA2C	P18825	1/20	0.38

▸	CTSB	P07858	1/20	0.36

▸	CYP3A4	P08684	2/20	0.34

▸	CTSS	P25774	1/20	0.34

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
SCHEMBL13798306	0.95	CYP3A4 (0.37)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13435733	0.90	CTSB (0.39)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13798308	0.88	ADRB3 (0.38)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3469848	0.88	CYP3A4 (0.37)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3469852	0.88	CYP3A4 (0.37)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL4099766	0.88	CTSB (0.37)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL4099763	0.88	CTSB (0.37)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13798307	0.88	ADRB3 (0.36)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL11984211	0.88	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13798304	0.88	ADRB3 (0.36)	ADRB3ADRA2BADRA2CCTSBCYP3A4

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
EP-2177523-A1	Novel macrocyclic inhibitors of hepatitis c virus replication	Intermune, Inc. (US)	2010-04-21	—	—	EP	disclosed