SCHEMBL27923928

SCHEMBL27923928

O=c1cc(Cc2ccc(OC(F)(F)F)cc2)cc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.48
▸ GPR84 Q9NQS5 1/20 0.46
▸ SCN9A Q15858 1/20 0.42
▸ SCN8A Q9UQD0 9/20 0.42
▸ SCN10A Q9Y5Y9 9/20 0.42
▸ SLC6A4 P31645 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ NSD2 O96028 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL15111297 0.79 NSD2 (0.64) DAOGPR84SCN9ASCN8ASCN10A
SCHEMBL2092054 0.78 SLC6A4 (0.56) DAOGPR84SLC6A4CHRM5MPO
SCHEMBL3989724 0.73 ABL1 (0.54) DAOGPR84NSD2ABL1PPARG
SCHEMBL508197 0.73 SLC6A4 (0.49) DAOSLC6A4MPOL3MBTL1
SCHEMBL22621116 0.73 SLC6A4 (0.51) SLC6A4MPO
SCHEMBL7929139 0.71 SLC6A4 (0.50) DAOSLC6A4MPOL3MBTL1
SCHEMBL16770891 0.71 SLC6A4 (0.58) SLC6A4
SCHEMBL22348782 0.70 CYP11B1 (0.47) —
SCHEMBL9607433 0.70 ALDH1A1 (0.49) DAOGPR84SLC6A4
SCHEMBL9607326 0.70 MAOA (0.44) DAOGPR84SLC6A4

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
CN-103342695-B 1',3'-disubstituted-4-pheny-3,4,5,6-tetrahydro-2H,1'H-[1,4']bipyridinyl-2'-ones ORTHO MCNEIL JANSSEN PHARM 2015-04-22 — — CN disclosed
CN-101801951-B 1 ', 3 ' -disubstituted-4-phenyl-3, 4,5, 6-tetrahydro-2H, 1 ' H- [1,4 ' ] bipyridinyl-2 ' -ones ORTHO MCNEIL JANSSEN PHARM 2013-11-13 — — CN disclosed
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