SCHEMBL3969890

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1.CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccccc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(-c3ccccc3)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1.Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccccc1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	5/20	0.47

▸	CNR1	P21554	3/20	0.42

▸	MAPT	P10636	3/20	0.41

▸	XBP1	P17861	1/20	0.40

▸	NPSR1	Q6W5P4	1/20	0.40

▸	GAA	P10253	1/20	0.38

▸	MAPK14	Q16539	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.37

▸	CCR6	P51684	1/20	0.36

▸	PHGDH	O43175	1/20	0.36

▸	ABCC9	O60706	1/20	0.36

▸	ABCC8	Q09428	1/20	0.36

▸	KCNJ11	Q14654	1/20	0.36

▸	KCNJ8	Q15842	1/20	0.36

▸	NTRK1	P04629	2/20	0.36

▸	POLB	P06746	1/20	0.36

▸	RORC	P51449	1/20	0.35

▸	USP2	O75604	1/20	0.35

▸	USP8	P40818	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
SCHEMBL3961312	0.91	MAPT (0.48)	CNR2CNR1MAPTXBP1NPSR1
SCHEMBL3965012	0.90	MAPT (0.50)	CNR2CNR1MAPTXBP1NPSR1
SCHEMBL3963551	0.88	CNR2 (0.47)	CNR2CNR1MAPTXBP1NPSR1
SCHEMBL3962721	0.86	CNR2 (0.62)	CNR2CNR1MAPTMAPK14RORC
SCHEMBL3964008	0.82	CNR2 (0.46)	CNR2CNR1GAAL3MBTL1RORC
SCHEMBL3966606	0.82	CNR2 (0.46)	CNR2CNR1GAAMAPK14L3MBTL1
SCHEMBL3961423	0.82	CNR2 (0.48)	CNR2CNR1MAPTNPSR1USP2
SCHEMBL3963516	0.81	CNR2 (0.52)	CNR2CNR1MAPK14L3MBTL1ABCC9
SCHEMBL3969896	0.80	CNR2 (0.61)	CNR2CNR1MAPTMAPK14PHGDH
SCHEMBL1464791	0.79	MAPT (0.63)	CNR2MAPTXBP1NPSR1MAPK14

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