SCHEMBL4408285

SCHEMBL4408285

CC(C)c1nnn(CC(C)(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4415167 0.77 SMN1; SMN2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4405551 0.76 CNR1 (0.31) CNR1CNR2
SCHEMBL4408001 0.75 CNR1 (0.32) CNR1CNR2
SCHEMBL4407682 0.75 TRPV1 (0.42) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL4406037 0.73 RECQL (0.47)
SCHEMBL4405653 0.73 TRPV1 (0.36) CNR1CNR2
SCHEMBL4408352 0.72 CNR1 (0.35) CNR1CNR2
SCHEMBL23033135 0.72 LMNA (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL20711274 0.72 CNR1 (0.31) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL4414548 0.72 ALDH1A1 (0.32) CNR1CNR2

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