SCHEMBL13630929

SCHEMBL13630929

C/C=C/c1cc(O)c(OCCCOC)cc1C(=O)N(C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35
HTR6 P50406 5/20 0.33
BCHE P06276 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
USP30 Q70CQ3 5/20 0.32
TRPV3 Q8NET8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ANO1 Q5XXA6 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
SCHEMBL13434489 0.91 SCN9A (0.37) SCN9AKAT7KAT6AHTR6BCHE
SCHEMBL13630941 0.88 SCN9A (0.40) SCN9AKAT7KAT6AHTR6BCHE
SCHEMBL13630930 0.88 SCN9A (0.40) SCN9AKAT7KAT6AHTR6BCHE
SCHEMBL13631124 0.86 SCN9A (0.38) SCN9AKAT7KAT6AHTR6BCHE
SCHEMBL13630964 0.84 USP30 (0.41) SCN9AKAT7HTR6BCHEUSP30
SCHEMBL13434468 0.83 REN (0.42) SCN9ARENUSP30GPR119ANO1
SCHEMBL13434355 0.82 REN (0.40) SCN9AKAT7KAT6ARENALOX5AP
SCHEMBL13434374 0.82 SCN9A (0.40) SCN9AKAT7KAT6ARENUSP30
SCHEMBL3487975 0.81 REN (0.35) MEN1ALDH1A1KMT2AREN
SCHEMBL3487982 0.81 REN (0.35) MEN1ALDH1A1KMT2AREN

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed