SCHEMBL8278237

CC1(C)CN(C(=O)O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCCCC(=O)N3C2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.40

▸	CTSS	P25774	1/20	0.35

▸	CYP3A4	P08684	2/20	0.32

▸	ADRB3	P13945	1/20	0.31

▸	ADRA2B	P18089	1/20	0.31

▸	ADRA2C	P18825	1/20	0.31

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
SCHEMBL2214687	0.92	CTSB (0.41)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL2214696	0.92	CTSB (0.41)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8221523	0.92	CTSB (0.41)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL2214691	0.92	CTSB (0.41)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8293642	0.88	CTSB (0.37)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL3970655	0.88	CTSB (0.37)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8171007	0.87	CTSB (0.38)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL3968863	0.86	ADRB3 (0.38)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8278906	0.86	ADRB3 (0.38)	CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8239469	0.84	CTSB (0.41)	CTSBCTSSCYP3A4ADRB3ADRA2B

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
WO-2005095403-A2	MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION	INTERMUNE, INC. (US)	2005-10-13	—	—	WO	disclosed