SCHEMBL9996326

SCHEMBL9996326

CC(C)(C)OC(=O)N1CCC[C@@H](COc2cccc(F)c2F)C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.59
ALOX5AP P20292 3/20 0.54
FEN1 P39748 3/20 0.54
HTR6 P50406 7/20 0.48
BCHE P06276 4/20 0.48
ACKR3 P25106 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
CHEK2 O96017 1/20 0.46
KDM1A O60341 1/20 0.44

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
SCHEMBL3326969 0.90 ALOX5AP (0.57) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL3326965 0.90 ALOX5AP (0.57) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL27157955 0.85 SCN9A (0.55) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL3323433 0.84 FEN1 (0.56) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL3323442 0.84 FEN1 (0.56) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL27158910 0.84 SCN9A (0.55) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL3323362 0.84 SCN9A (0.55) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL3323355 0.84 SCN9A (0.55) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL25200987 0.83 RBP4 (0.54) SCN9AALOX5APFEN1HTR6BCHE
SCHEMBL29427741 0.83 RBP4 (0.54) SCN9AALOX5APFEN1HTR6BCHE

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-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed