SCHEMBL2006488

SCHEMBL2006488

CC(C)(C)N(C(=O)O)C1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ADRB1 P08588 1/20 0.51
DPP4 P27487 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
MAPT P10636 2/20 0.47
CHRM4 P08173 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 1/20 0.47
ACACB O00763 2/20 0.46
OPRD1 P41143 1/20 0.45
LCAT P04180 2/20 0.44
CCR2 P41597 1/20 0.43
CXCR3 P49682 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1733915 0.82 KDM4E (0.61) HRH3DPP4DPP7MAPTKDM4E
SCHEMBL15324776 0.81 CCR2 (0.65) FFAR4HRH3MAPTCCR2
SCHEMBL1998673 0.81 GPR119 (0.54) HRH3KDM4EALDH1A1OPRD1
SCHEMBL4154279 0.80 CCR2 (0.50) FFAR4HRH3MAPTCCR2
SCHEMBL4151034 0.79 CCR2 (0.57) FFAR4CCR2
SCHEMBL1026722 0.78 TRPV1 (0.45) HRH3OPRD1
SCHEMBL2005045 0.77 FFAR4 (0.56) FFAR4HRH3ADRB1DPP4DPP7
SCHEMBL7134998 0.77 KDM4E (0.67) FFAR4HRH3ADRB1DPP4DPP7
SCHEMBL4138546 0.76 CCR2 (0.61) FFAR4CCR2
SCHEMBL4138085 0.76 CCR2 (0.60) FFAR4HRH3CCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed