SCHEMBL27745176

SCHEMBL27745176

CC[C@@H](NC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ FAAH O00519 1/20 0.43
▸ SLC6A9 P48067 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 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
SCHEMBL5910308 1.00 MEN1 (0.45) MEN1KMT2AFAAHSLC6A9HDAC6
SCHEMBL27745218 1.00 MEN1 (0.45) MEN1KMT2AFAAHSLC6A9HDAC6
Propane SCHEMBL7390979 0.98 MEN1 (0.44) MEN1KMT2AFAAHSLC6A9HDAC6
SCHEMBL22473565 0.83 MEN1 (0.45) MEN1KMT2AFAAHSLC6A9HDAC6
SCHEMBL6646740 0.81 TRPA1 (0.41) MEN1KMT2AFAAHHDAC6TAAR1
SCHEMBL8284242 0.80 ALDH1A1 (0.53) MEN1KMT2ATDP1CYP2D6LMNA
SCHEMBL8285914 0.80 ALDH1A1 (0.53) MEN1KMT2ATDP1CYP2D6LMNA
SCHEMBL8285019 0.80 ALPL (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8285925 0.80 ALPL (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL14452548 0.80 ALDH1A1 (0.53) MEN1KMT2ATDP1CYP2D6LMNA

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
CN-101460446-B Method for producing optically active 1-(fluoro-,trifluoromethyl-or trifluoromethoxy-substituted phenyl)alkylamine n-monoalkyl derivative CENTRAL GLASS CO LTD 2013-04-24 — — CN disclosed
CN-101460446-A Method for producing optically active 1-(fluoro-,trifluoromethyl-or trifluoromethoxy-substituted phenyl)alkylamine n-monoalkyl derivative CENTRAL GLASS CO LTD (JP) 2009-06-17 — — CN disclosed
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