SCHEMBL27508666

SCHEMBL27508666

OCc1ccc2c(c1)COC2c1ccc(F)cc1.c1ccc2c(c1)COC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.38
NAMPT P43490 1/20 0.33
PRCP P42785 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
SLC5A1 P13866 1/20 0.31
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FYN P06241 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPY5R Q15761 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL4622856 0.91 SLC5A2 (0.40) SLC5A2NAMPTSLC5A1MIFFYN
SCHEMBL7163573 0.86 SLC5A2 (0.39) SLC5A2NAMPTPRCPSLC5A1
SCHEMBL4622359 0.78 LOXL2 (0.46) SLC5A2
SCHEMBL4620798 0.78 SLC5A2 (0.35) SLC5A2SLC5A1
SCHEMBL13970077 0.76 SLC5A2 (0.38) SLC5A2
SCHEMBL4837968 0.76 PRCP (0.46) PRCPSMN1; SMN2
SCHEMBL6096441 0.71 SLC6A2 (0.49) NPC1RAB9A
SCHEMBL1777 0.71 KDM1A (0.35) KMT2A
SCHEMBL7030746 0.69 NR3C2 (0.40) MEN1KMT2A
SCHEMBL6655779 0.68 NR3C1 (0.33)

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-1161350-C Method for the preparation of citalopram H��¡�±������޹�˾ 2004-08-11 CN disclosed
CN-1404475-A Process for the preparation of citalopram LUNDBECK & CO AS H (DK) 2003-03-19 CN disclosed