SCHEMBL4600326

SCHEMBL4600326

O=Cc1c(F)c(-c2ccccc2)cc(F)c1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP2 P50579 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 2/20 0.33
DHODH Q02127 2/20 0.32
CHRM5 P08912 1/20 0.32
MAPT P10636 1/20 0.31
IDH2 P48735 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL28475668 0.78 MEN1 (0.41) MEN1RAB9AKMT2ADHODHMAPT
SCHEMBL28891807 0.78 MEN1 (0.41) MEN1RAB9AKMT2ADHODHMAPT
SCHEMBL28424375 0.75 MEN1 (0.41) MEN1RAB9AKMT2ADHODHMAPT
SCHEMBL4600429 0.73 MEN1 (0.36) ARMEN1RAB9AKMT2AMETAP2
SCHEMBL28462492 0.72 MEN1 (0.44) MEN1RAB9AKMT2AMAPTBACE1
SCHEMBL2599654 0.72 MEN1 (0.44) MEN1RAB9AKMT2AMAPTBACE1
SCHEMBL29044538 0.71 BACE1 (0.39) ARMEN1RAB9AKMT2ABACE1
SCHEMBL27784700 0.71 SQOR (0.36) METAP2FFAR4DHODH
SCHEMBL16056335 0.71 ALDH1A1 (0.39) MEN1RAB9AKMT2AMAPT
SCHEMBL6535943 0.70 ALDH1A1 (0.45) ARMEN1RAB9AKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO disclosed