SCHEMBL4406803

SCHEMBL4406803

CC(C)Cn1nnnc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
GRM2 Q14416 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.37
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4410876 0.76 MAPK1 (0.43) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL12764087 0.76 CYP1A2 (0.48) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL7413802 0.75 CNR2 (0.50) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL4404458 0.75
SCHEMBL4544043 0.74 CNR2 (0.41) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL4408040 0.74 MAPT (0.44) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL4405543 0.74 CNR2 (0.41) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL11767534 0.74 CNR2 (0.41) MAPTGRM2CNR2ALDH1A1TRPV1
Hydrochloric Acid SCHEMBL9661482 0.72 CNR2 (0.41) MAPTGRM2CNR2ALDH1A1TRPV1
SCHEMBL4406055 0.72 CNR2 (0.51) MAPTGRM2CNR2ALDH1A1TRPV1

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