SCHEMBL3397175

SCHEMBL3397175

[CH2]c1cccc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 5/20 0.36
FFAR1 O14842 4/20 0.32
SCN8A Q9UQD0 1/20 0.32
MPO P05164 1/20 0.31
IDO1 P14902 2/20 0.31
TACR1 P25103 1/20 0.31
HTR7 P34969 3/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
DHODH Q02127 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
SCHEMBL3426719 0.83 AGXT (0.35) AGXTFFAR1SCN8AMPOIDO1
SCHEMBL1364525 0.80 PLA2G10 (0.38) AGXTFFAR1TACR1
SCHEMBL4098806 0.78 CHRM3 (0.41) FFAR1TACR1
SCHEMBL3432959 0.77 AGXT (0.38) AGXTFFAR1IDO1
SCHEMBL10518591 0.77 AGXT (0.38) AGXTFFAR1MPOIDO1HTR7
SCHEMBL1362264 0.75 FFAR1 (0.34) FFAR1TACR1
SCHEMBL12053383 0.74 BRD4 (0.43) TACR1
SCHEMBL4783563 0.74 PRKCI (0.49) AGXT
SCHEMBL4727676 0.74 CYP4F2 (0.44) AGXTIDO1TACR1
SCHEMBL3424220 0.74 CD274 (0.35) AGXTFFAR1HTR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed