SCHEMBL13630930

SCHEMBL13630930

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
KAT7 O95251 1/20 0.36
KAT6A Q92794 1/20 0.36
TRPV3 Q8NET8 1/20 0.34
REN P00797 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
USP30 Q70CQ3 5/20 0.34
HTR6 P50406 3/20 0.33
BCHE P06276 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PBK Q96KB5 1/20 0.33
GPR119 Q8TDV5 1/20 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
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL13434476 0.91 SCN9A (0.39) SCN9AKAT7KAT6ATRPV3REN
SCHEMBL13630941 0.91 SCN9A (0.40) SCN9AKAT7KAT6ARENALOX5AP
SCHEMBL13631124 0.88 SCN9A (0.38) SCN9AKAT7KAT6ATRPV3REN
SCHEMBL13630929 0.88 SCN9A (0.38) SCN9AKAT7KAT6ATRPV3REN
SCHEMBL13630964 0.87 USP30 (0.41) SCN9AKAT7USP30HTR6BCHE
SCHEMBL13434468 0.85 REN (0.42) SCN9ARENUSP30GPR119ANO1
SCHEMBL13434355 0.85 REN (0.40) SCN9AKAT7KAT6ARENALOX5AP
SCHEMBL13434446 0.85 REN (0.42) SCN9ATRPV3RENUSP30GPR119
SCHEMBL13434374 0.84 SCN9A (0.40) SCN9AKAT7KAT6ARENUSP30
SCHEMBL13434503 0.83 SCN9A (0.39) SCN9AKAT7KAT6ARENALOX5AP

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