SCHEMBL20847666

SCHEMBL20847666

Fc1cccc(CN(Sc2c(F)c(F)c(F)c(F)c2F)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 5/20 0.37
OPRL1 P41146 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL20847602 0.78 AGER (0.38) SLC6A3SLC6A2SLC6A4HDAC8HDAC6
SCHEMBL20847474 0.77 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL20847650 0.77 ALDH1A1 (0.35) HDAC8HDAC6
SCHEMBL20847669 0.77 AGER (0.40) SLC6A3SLC6A2SLC6A4HDAC6
SCHEMBL20847664 0.77 ESR1 (0.38) OPRM1HDAC8HDAC6
SCHEMBL20847604 0.77 SLC6A2 (0.38) SLC6A3SLC6A2SLC6A4HDAC8HDAC6
SCHEMBL20847477 0.75 SLC6A2 (0.39) SLC6A2SLC6A4TAAR1HDAC8HDAC6
SCHEMBL20847575 0.75 AGER (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL20847492 0.75 HDAC8 (0.37) SLC6A3SLC6A2SLC6A4HDAC8HDAC6
SCHEMBL20847500 0.75 RIPK1 (0.31)

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
WO-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 WO disclosed