SCHEMBL4411347

SCHEMBL4411347

CC(C)(C)n1nnc(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.47
CNR2 P34972 4/20 0.47
CNR1 P21554 1/20 0.47
MGLL Q99685 5/20 0.43
DAGLA Q9Y4D2 2/20 0.43
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.39
KDM1A O60341 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CALM1 P0DP23 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 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
Propionic Acid SCHEMBL9078600 0.90 CNR2 (0.47) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL2529821 0.85 TRPV1 (0.43) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9076655 0.83 TRPV1 (0.38) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9077184 0.83 ADRA2A (0.39) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9077369 0.83 CNR2 (0.38) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9077004 0.83 MGLL (0.50) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9077187 0.83 CNR2 (0.45) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL4400123 0.83 CNR2 (0.44) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL4408980 0.83 HDAC6 (0.44) TRPV1CNR2CNR1MGLLDAGLA
SCHEMBL9076475 0.82 CNR2 (0.45) TRPV1CNR2CNR1MGLLDAGLA

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