SCHEMBL4017977

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)C1CCCCC1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CC2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCC2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)n1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)sc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	14/20	0.46

▸	CNR1	P21554	10/20	0.46

▸	CTPS1	P17812	3/20	0.38

▸	CTPS2	Q9NRF8	2/20	0.38

▸	CYP2C8	P10632	1/20	0.34

▸	CYP2D6	P10635	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	NPY5R	Q15761	1/20	0.33

▸	GCK	P35557	1/20	0.32

▸	ATAD2	Q6PL18	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
SCHEMBL4165730	0.79	CNR2 (0.44)	CNR2CNR1CTPS1CTPS2CYP2C8
SCHEMBL4010320	0.79	CTPS1 (0.49)	CNR2CNR1CTPS1CTPS2NPY5R
SCHEMBL4018062	0.78	CNR2 (0.33)	CNR2CNR1GCKATAD2
SCHEMBL4013326	0.75	CNR2 (0.44)	CNR2CNR1GCKATAD2
SCHEMBL4011949	0.75	CNR2 (0.55)	CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL4011827	0.75	CNR2 (0.52)	CNR2CNR1GCKATAD2
SCHEMBL1621445	0.72	NPY5R (0.53)	CNR2CNR1NPY5RGCK
SCHEMBL1621229	0.72	NPY5R (0.53)	CNR2CNR1NPY5RGCK
SCHEMBL4013229	0.72	CNR2 (0.56)	CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL1620950	0.71	NPY5R (0.54)	CNR2CNR1NPY5RGCK

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
EP-2074084-A1	COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR	Boehringer Ingelheim International GmbH (DE)	2009-07-01	—	—	EP	disclosed
WO-2008039645-A1	COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2008-04-03	—	—	WO	disclosed