SCHEMBL13947028

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NSC2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O)O[C@@H]1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 3)

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

▸	ADRA2B	P18089	1/20	0.39

▸	ADRA2C	P18825	1/20	0.39

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
SCHEMBL13892475	0.94	ADRB3 (0.43)	ADRB3ADRA2BADRA2C
SCHEMBL4212063	0.92	ADRB3 (0.46)	ADRB3ADRA2BADRA2C
SCHEMBL4212067	0.92	ADRB3 (0.46)	ADRB3ADRA2BADRA2C
SCHEMBL8279038	0.92	ADRB3 (0.46)	ADRB3ADRA2BADRA2C
SCHEMBL13610357	0.92	ADRB3 (0.46)	ADRB3ADRA2BADRA2C
SCHEMBL3969647	0.92	ADRB3 (0.46)	ADRB3ADRA2BADRA2C
SCHEMBL13892519	0.91	ADRB3 (0.39)	ADRB3ADRA2BADRA2C
SCHEMBL3968541	0.90	ADRB3 (0.39)	ADRB3ADRA2BADRA2C
SCHEMBL3969376	0.90	ADRB3 (0.39)	ADRB3ADRA2BADRA2C
SCHEMBL8278899	0.90	ADRB3 (0.39)	ADRB3ADRA2BADRA2C

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-7491794-B2	Macrocyclic compounds as inhibitors of viral replication	INTERMUNE, INC. (US)	2009-02-17	—	—	US	disclosed