SCHEMBL5325645

SCHEMBL5325645

CNCc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
HTR2A P28223 5/20 0.54
KCNH2 Q12809 5/20 0.54
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CES2 O00748 2/20 0.42
MPO P05164 2/20 0.40
TPO P07202 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SRD5A2 P31213 1/20 0.40
IDO1 P14902 1/20 0.38
CYP26A1 O43174 1/20 0.37
KIF11 P52732 1/20 0.36
PDE2A O00408 1/20 0.36
AR P10275 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
SCHEMBL21446971 0.85 SLC6A4 (0.52) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5252357 0.82 CES2 (0.48) SLC6A4HTR2AKCNH2CYP3A4CYP2D6
SCHEMBL13452580 0.81 SLC6A4 (0.47) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL13840653 0.81 SLC6A4 (0.54) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4244859 0.80 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL17670630 0.80 SLC6A4 (0.52) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL25375435 0.79 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL12593467 0.79 CES2 (0.50) CYP3A4CYP2D6CES2MPOSRD5A2
SCHEMBL9120134 0.78 IDO1 (0.53) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL8883258 0.76 CES2 (0.47) CYP3A4CYP2D6CES2MPOSRD5A2

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-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed