SCHEMBL3470156

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]CN2C1=O)OC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.37

▸	ADRB3	P13945	1/20	0.37

▸	ADRA2B	P18089	1/20	0.37

▸	ADRA2C	P18825	1/20	0.37

▸	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
SCHEMBL8306664	0.90	CTSB (0.40)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13624481	0.87	ADRB3 (0.42)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3469873	0.87	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8277053	0.86	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13954200	0.86	CTSB (0.39)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8000121	0.86	CTSB (0.41)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8172111	0.85	CTSB (0.41)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13892518	0.82	ADRB3 (0.41)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8277057	0.82	ADRB3 (0.41)	CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3969592	0.82	ADRB3 (0.41)	CTSBADRB3ADRA2BADRA2CCTSS

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