SCHEMBL7992900

SCHEMBL7992900

O=C(O)CN(C(=O)C(=O)C1CNc2cc(F)ccc21)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.33
PTPN1 P18031 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PTGDR Q13258 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
ACHE P22303 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTT P42858 1/20 0.32
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL7980506 0.87 GAA (0.42) PTGIRHTT
SCHEMBL7982416 0.83 TACR1 (0.32)
SCHEMBL7980536 0.77 PTGDR2 (0.35) PTGDRSLC6A2SLC6A4
SCHEMBL7981921 0.74 TSHR (0.40) HTT
SCHEMBL3906901 0.73 PRKAB2 (0.39) HTT
SCHEMBL7981280 0.73 PIN1 (0.40) HTT
SCHEMBL7981085 0.72 CA12 (0.34)
SCHEMBL7981155 0.71 NR3C2 (0.33) SLC6A4
SCHEMBL7938183 0.70 ALDH1A1 (0.37)
SCHEMBL7982833 0.68 PKM (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed