SCHEMBL6445833

SCHEMBL6445833

O=CC(Br)c1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.34
ALPL P05186 6/20 0.33
CNR2 P34972 2/20 0.33
ANO1 Q5XXA6 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAP2 P11137 1/20 0.32
APP P05067 1/20 0.32
PNLIP P16233 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
EPHX2 P34913 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6442565 0.83 MAOA (0.37) ALPLEPHX2
SCHEMBL28758201 0.82 APP (0.37) ALPLCNR2ANO1FFAR4CYP11B1
SCHEMBL27643654 0.81 ANO1 (0.34) EPAS1ALPLCNR2ANO1FFAR4
SCHEMBL3637979 0.80 ALDH1A1 (0.40)
SCHEMBL5608059 0.78 KCNK3 (0.38) FFAR4CYP11B1CYP11B2
SCHEMBL5758153 0.77 HTR2A (0.38) FFAR4MAP2HTR2AHTR2C
SCHEMBL12356955 0.76 KCNK3 (0.39) ALPLCNR2APPHTR2AHTR2C
SCHEMBL26664767 0.75 TDP1 (0.35) EPAS1
SCHEMBL6443959 0.75 TDP1 (0.35) EPAS1
SCHEMBL16958565 0.75 ALPL (0.33) EPAS1ALPLCNR2ANO1FFAR4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed