SCHEMBL4407129

SCHEMBL4407129

CC(C)Cn1nnc(Cc2ccccc2)n1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.86
CNR2 P34972 5/20 0.86
CNR1 P21554 1/20 0.86
HDAC6 Q9UBN7 1/20 0.51
MGLL Q99685 8/20 0.47
DAGLA Q9Y4D2 1/20 0.47
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28186377 0.81 CNR2 (0.59) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4404110 0.81 TRPV1 (0.59) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4405605 0.80 HDAC6 (0.68) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4407827 0.79 CNR2 (0.56) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4407046 0.77 TRPV1 (0.55) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4408047 0.77 TRPV1 (0.54) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4411302 0.76 CNR2 (0.54) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4407064 0.75 CNR2 (0.52) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4407341 0.75 TRPV1 (0.59) TRPV1CNR2CNR1ALDH1A1RAB9A
SCHEMBL4407355 0.74 RAB9A (0.54) TRPV1CNR2CNR1HDAC6DAGLA

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