SCHEMBL6232118

SCHEMBL6232118

CCCCCNc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ADRA2A P08913 1/20 0.41
ABL1 P00519 1/20 0.40
KCNH3 Q9ULD8 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
GPR84 Q9NQS5 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNA7 P36544 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL6232154 0.87 CHRNA7 (0.42) HDAC3HDAC1HDAC2POLBLMNA
SCHEMBL6232362 0.84 ICMT (0.46) ABL1NPC1RAB9A
SCHEMBL2096490 0.83 ICMT (0.45) ABL1NPC1RAB9A
SCHEMBL6230410 0.83 POLB (0.54) HDAC3HDAC1HDAC2ABL1POLB
SCHEMBL6231717 0.82 LMNA (0.42) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL12953554 0.78 KIF11 (0.50) HDAC3HDAC1HDAC2ABL1POLB
SCHEMBL3400985 0.77 ADRA2A (0.53) ADRA2AABL1KCNH3GPR84
SCHEMBL28700733 0.75 ABL1 (0.55) ADRA2AABL1KCNH3GPR84
SCHEMBL10010025 0.74 POLB (0.46) HDAC3HDAC1HDAC2POLB
SCHEMBL6231339 0.73 TRPA1 (0.46) ADRA2AABL1LMNA

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