SCHEMBL13630941

SCHEMBL13630941

COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
ANO1 Q5XXA6 2/20 0.37
KAT7 O95251 1/20 0.36
KAT6A Q92794 1/20 0.36
STS P08842 1/20 0.35
HTR6 P50406 3/20 0.34
PDE4B Q07343 1/20 0.34
BCHE P06276 2/20 0.34
REN P00797 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL13434374 0.92 SCN9A (0.40) SCN9AKAT7KAT6APDE4BREN
SCHEMBL13434503 0.91 SCN9A (0.39) SCN9AKAT7KAT6AHTR6PDE4B
SCHEMBL13630930 0.91 SCN9A (0.40) SCN9AANO1KAT7KAT6AHTR6
SCHEMBL13631124 0.88 SCN9A (0.38) SCN9AANO1KAT7KAT6AHTR6
SCHEMBL13630929 0.88 SCN9A (0.38) SCN9AANO1KAT7KAT6AHTR6
SCHEMBL13630964 0.87 USP30 (0.41) SCN9AKAT7HTR6BCHEUSP30
SCHEMBL13434487 0.86 PDE4B (0.41) SCN9ASTSPDE4BUSP30
SCHEMBL13434468 0.85 REN (0.42) SCN9AANO1PDE4BRENUSP30
SCHEMBL13630880 0.85 SCN9A (0.39) SCN9APDE4BALOX5APFEN1USP30
SCHEMBL13434355 0.85 REN (0.40) SCN9AKAT7KAT6APDE4BREN

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