SCHEMBL6232154

SCHEMBL6232154

CCCNc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
PIM1 P11309 2/20 0.40
POLB P06746 1/20 0.40
TRPA1 O75762 4/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 2/20 0.34

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
SCHEMBL6232118 0.87 HDAC3 (0.41) CHRNA7POLBLMNAHDAC3HDAC1
SCHEMBL6231717 0.86 LMNA (0.42) POLBTRPA1LMNAL3MBTL1MAPT
SCHEMBL6233653 0.82 PIM1 (0.50) PIM1MAPTEPHX2HTTRAB9A
SCHEMBL6233494 0.81 POLB (0.58) CHRNA7POLBLMNAHDAC3HDAC1
SCHEMBL12178218 0.78 KMT2A (0.48) POLBL3MBTL1CYP1A2MAPTMEN1
SCHEMBL2091142 0.75 L3MBTL1 (0.42) CHRNA7POLBLMNAHDAC3HDAC1
SCHEMBL3173854 0.74 HDAC3 (0.41) HDAC3HDAC1HDAC2L3MBTL1MAPT
SCHEMBL21190211 0.73 TSHR (0.41) LMNAL3MBTL1
SCHEMBL5539306 0.72 RORC (0.38) L3MBTL1MAPTEPHX2MEN1HTT
SCHEMBL10104354 0.72 MCHR1 (0.40) PIM1POLB

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-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO disclosed