SCHEMBL4405543

SCHEMBL4405543

CC(C)Cn1nnnc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.35
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 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
SCHEMBL12764087 0.76 CYP1A2 (0.48) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4410876 0.76 MAPK1 (0.43) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL24666923 0.75 CNR2 (0.40) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4403602 0.75
SCHEMBL4406803 0.74 MAPT (0.44) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL11767534 0.74 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4544043 0.74 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4408040 0.74 MAPT (0.44) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4413261 0.74 CNR2 (0.39) CNR2MAPTTRPV1GRM2ALDH1A1
Hydrochloric Acid SCHEMBL9661482 0.72 CNR2 (0.41) 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