SCHEMBL2000005

SCHEMBL2000005

CC(C)(C)N(C(=O)O)C1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
CHRM4 P08173 1/20 0.44
PPARG P37231 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
DGAT1 O75907 2/20 0.40
GRM1 Q13255 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LCAT P04180 1/20 0.40
MCHR1 Q99705 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1733915 0.87 KDM4E (0.61) HRH3GPR119KDM4EABL1LMNA
SCHEMBL2002031 0.86 HRH3 (0.47) HRH3GPR119KDM4EABL1LMNA
SCHEMBL11909895 0.85 CHRM4 (0.46) KDM4EABL1LMNACHRM4PPARG
SCHEMBL1998372 0.85 GPR119 (0.46) GPR119KDM4EABL1LMNAPPARG
SCHEMBL1844336 0.82 PANK3 (0.49) GPR119CHRM4
SCHEMBL1261522 0.80 KDM4E (0.56) HRH3GPR119KDM4EABL1LMNA
SCHEMBL1998673 0.80 GPR119 (0.54) HRH3GPR119KDM4EALDH1A1GRM1
SCHEMBL4882522 0.79 MCHR1 (0.40) HRH3KDM4EABL1LMNACHRM4
SCHEMBL3939344 0.79 NPY5R (0.34) HRH3GPR119KDM4EABL1LMNA
SCHEMBL16924877 0.78 USP30 (0.42) HRH3KDM4EABL1LMNAL3MBTL1

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.

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