SCHEMBL28758197

SCHEMBL28758197

O=C(CCc1cc(Cl)ccc1OC(F)(F)F)CCc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ ALPL P05186 3/20 0.38
▸ ANO1 Q5XXA6 2/20 0.38
▸ DDR1 Q08345 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MAP2 P11137 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PNLIP P16233 1/20 0.36

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
SCHEMBL28755481 0.82 PTGDR2 (0.40) ALPLDDR1EPHX2PTGDR2
SCHEMBL20303452 0.80 EPAS1 (0.44) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL4477210 0.79 MAPT (0.53) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL16373805 0.79 FFAR4 (0.44) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL10562329 0.79 FFAR4 (0.45) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL27624240 0.78 VNN1 (0.46) FFAR4TRPV1EPHX2TDP1
SCHEMBL24459310 0.76 FFAR4 (0.41) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL21266901 0.76 FFAR4 (0.41) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL4468349 0.76 CCR5 (0.42) FFAR4TRPV1MAPTCNR2ALPL
SCHEMBL27624283 0.75 FFAR4 (0.41) FFAR4MAPT

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
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 — — CN disclosed
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 — — CN disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 — — CN disclosed
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