SCHEMBL6655779

SCHEMBL6655779

CNc1ccc2c(c1)COC2c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
APP P05067 1/20 0.33
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 3/20 0.32
CYP2D6 P10635 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
SCHEMBL6096441 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1777 0.78 KDM1A (0.35) SLC6A4
SCHEMBL27947259 0.77 CA1 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL13970077 0.75 SLC5A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4620798 0.74 SLC5A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL22043585 0.74 FADS1 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5936386 0.74 MEN1 (0.38)
SCHEMBL4622856 0.74 SLC5A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1686 0.74 FADS1 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4622359 0.74 LOXL2 (0.46) SLC6A2SLC6A4SLC6A3

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
EP-1125907-B1 Intermediates for the production of citalopram SUMIKA FINE CHEMICALS CO LTD (JP) 2004-07-14 EP disclosed