SCHEMBL3963816

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccnc2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccs2)no1.CC(C)(C)c1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccnc2)n1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	6/20	0.42

▸	CNR1	P21554	4/20	0.42

▸	CYP1A2	P05177	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	FFAR2	O15552	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
SCHEMBL3960143	0.90	CNR2 (0.52)	CNR2CNR1CYP1A2CYP3A4MAPT
SCHEMBL3968648	0.77	CNR2 (0.48)	CNR2CNR1MAPTFFAR2
SCHEMBL3963562	0.73	CNR2 (0.48)	CNR2CNR1
SCHEMBL3961281	0.71	CNR2 (0.59)	CNR2CNR1MAPTFFAR2
SCHEMBL3959628	0.70	CNR2 (0.71)	CNR2CNR1MAPT
SCHEMBL3962727	0.69	CNR2 (0.62)	CNR2CNR1MAPT
SCHEMBL4066158	0.69	CNR2 (0.49)	CNR2CNR1CYP2C19
SCHEMBL3960770	0.69	CNR2 (0.53)	CNR2CNR1CYP2C9CYP2C19
SCHEMBL3963097	0.68	CNR2 (0.54)	CNR2CNR1MAPTFFAR2
SCHEMBL3968156	0.68	CNR2 (0.40)	CNR2CNR1MAPTFFAR2

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-2081905-A2	SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR	Boehringer Ingelheim International GmbH (DE)	2009-07-29	—	—	EP	disclosed
WO-2008014199-A2	SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2008-01-31	—	—	WO	disclosed