SCHEMBL8286606

SCHEMBL8286606

O=C(NCCC1CNc2ccc(F)cc21)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TDO2 P48775 1/20 0.53
CCKBR P32239 2/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR2 P21452 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
KCNA5 P22460 1/20 0.41
NAAA Q02083 1/20 0.40
MGLL Q99685 1/20 0.40
TGM2 P21980 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CTSL P07711 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
SCHEMBL13080333 0.87 IDO1 (0.61) IDO1TDO2CCKBRLMNASMN1; SMN2
SCHEMBL14297494 0.76 SPR (0.46)
SCHEMBL23181344 0.75 ACACB (0.48)
SCHEMBL21248691 0.73 LMNA (0.60) IDO1TDO2LMNASMN1; SMN2HTT
SCHEMBL3959411 0.70 TACR2 (0.43) MEN1KMT2ATACR2
SCHEMBL3963694 0.70 TACR2 (0.43) MEN1KMT2ATACR2
SCHEMBL8396587 0.70 LMNA (0.63) IDO1TDO2LMNASMN1; SMN2HTT
SCHEMBL3956306 0.70 TACR2 (0.39) TACR2
SCHEMBL3956308 0.70 TACR2 (0.39) TACR2
SCHEMBL29080155 0.70 IDO1 (0.57) IDO1TDO2LMNASMN1; SMN2HTT

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
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed