SCHEMBL4403775

SCHEMBL4403775

CC(C)Cn1nnnc1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
MAPT P10636 3/20 0.36
TRPV1 Q8NER1 1/20 0.32
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL4405738 0.85 CNR2 (0.39) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4405725 0.79 CNR2 (0.43) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4408134 0.79 ALDH1A1 (0.41) MAPTALDH1A1HSP90AA1HPGDHTT
SCHEMBL4413261 0.78 CNR2 (0.39) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4408965 0.76 ALDH1A1 (0.31) MAPTALDH1A1HSP90AA1HPGDHTT
SCHEMBL4408846 0.76 CYP1A2 (0.42) ALDH1A1HPGD
SCHEMBL14417087 0.75 CNR2 (0.37) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4403807 0.75 CNR2 (0.37) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4411090 0.74 KMT2A (0.38) MAPTALDH1A1HTT
SCHEMBL4410876 0.72 MAPK1 (0.43) CNR2MAPTTRPV1GRM2ALDH1A1

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