SCHEMBL6991041

SCHEMBL6991041

CC(C)(C)OC(=O)C1CNc2ccc(OCCCCBr)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
STK25 O00506 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GAA P10253 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL7218378 0.84 MAOB (0.40)
SCHEMBL7213385 0.84 THRA (0.40)
SCHEMBL7212195 0.83 LTA4H (0.34) GPR119
SCHEMBL6992807 0.81 LSS (0.46)
SCHEMBL6991262 0.80 CREBBP (0.45)
SCHEMBL6143785 0.80 GPR119 (0.39) GPR119CYP4F2CYP4A11
SCHEMBL6143001 0.79 CHEK2 (0.40)
SCHEMBL27557245 0.78 CNR2 (0.34) CNR2POLBAPEX1HTTTDP1
SCHEMBL3986151 0.78 EPHX2 (0.37) POLBTDP1CA1CA2GAA
SCHEMBL1161006 0.76 EPHX2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1245385-C indole and indoline derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1733723-A Indole and dihydroindole derivatives HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1476432-A indole and indoline derivatives - 2004-02-18 CN disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed