SCHEMBL8433798

SCHEMBL8433798

CC(C)(C)OC(=O)N1CCCC(COc2ccc(F)cc2CCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.52
HTR6 P50406 6/20 0.48
BCHE P06276 4/20 0.48
RBP4 P02753 3/20 0.47
KAT7 O95251 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
USP30 Q70CQ3 2/20 0.44
ACKR3 P25106 1/20 0.44
CHEK2 O96017 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL27341185 0.85 SCN9A (0.51) SCN9AHTR6BCHERBP4ALOX5AP
SCHEMBL27523517 0.85 SCN9A (0.51) SCN9AHTR6BCHERBP4ALOX5AP
SCHEMBL27331912 0.85 SCN9A (0.51) SCN9AHTR6BCHERBP4ALOX5AP
SCHEMBL3324259 0.85 SCN9A (0.54) SCN9AHTR6BCHERBP4KAT7
SCHEMBL3324264 0.85 SCN9A (0.54) SCN9AHTR6BCHERBP4KAT7
SCHEMBL8709905 0.83 TP53 (0.49) SCN9AHTR6BCHE
SCHEMBL8702698 0.83 TP53 (0.49) SCN9AHTR6BCHE
SCHEMBL8702705 0.83 TP53 (0.49) SCN9AHTR6BCHE
SCHEMBL3325117 0.83 SCN9A (0.58) SCN9AHTR6BCHERBP4KAT7
SCHEMBL3325111 0.83 SCN9A (0.58) SCN9AHTR6BCHERBP4KAT7

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-0958817-A1 COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS SANKYO COMPANY LIMITED (JP) 1999-11-24 EP disclosed