SCHEMBL4411863

SCHEMBL4411863

FC(F)(F)n1nnnc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 3/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.38
STAT5B P51692 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
P2RX7 Q99572 2/20 0.37
CALM1 P0DP23 1/20 0.37
HSD11B1 P28845 1/20 0.36
DAGLA Q9Y4D2 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
SCHEMBL4397501 0.88 CNR2 (0.41) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4414652 0.83 NPSR1 (0.50) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4408326 0.83 CNR2 (0.42) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL9087766 0.81 CNR2 (0.41) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4416265 0.80 CNR2 (0.43) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4407041 0.77 ALDH1A1 (0.46) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4407850 0.73 CNR2 (0.45) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4413673 0.73 CNR2 (0.45) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL4409003 0.73 CNR2 (0.49) CNR2MGLLALDH1A1FAAHMEN1
SCHEMBL1067246 0.73 ALDH1A1 (0.46) CNR2MGLLALDH1A1FAAHMEN1

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed