SCHEMBL6235877

SCHEMBL6235877

CCCCCNc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NPY1R P25929 1/20 0.48
NPY5R Q15761 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
IDH2 P48735 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL25590656 0.98 LMNA (0.54) LMNAHDAC3HDAC1HDAC2NPY1R
SCHEMBL1419865 0.95 LMNA (0.56) LMNAHDAC3HDAC1HDAC2NPY1R
SCHEMBL6232265 0.88 LMNA (0.63) LMNAGAAMAPTALDH1A1POLB
SCHEMBL11114461 0.88 MAPT (0.51) LMNAHDAC3HDAC1HDAC2GAA
SCHEMBL10536197 0.87 ABL1 (0.43) LMNAHDAC3HDAC1HDAC2NPY1R
SCHEMBL3662823 0.84 ABL1 (0.54) MAPTALDH1A1ABL1
SCHEMBL28878460 0.83 SYK (0.55) LMNAHDAC3HDAC1HDAC2GAA
SCHEMBL5647753 0.83 KIF11 (0.55) LMNAHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL11115754 0.83 MAPT (0.61) LMNARXFP1GAAMAPTALDH1A1
SCHEMBL30490047 0.82 LMNA (0.53) LMNAGAAMAPTALDH1A1IDH2

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