SCHEMBL4409119

SCHEMBL4409119

CCCc1nnnn1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 5/20 0.32
IDE P14735 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TOP2A P11388 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4404533 0.89 CNR2 (0.47) CNR2TRPV1MAPTCYP1A2GRM2
SCHEMBL4408212 0.87 CNR2 (0.46) CNR2TRPV1MAPTCYP1A2ALDH1A1
SCHEMBL4409002 0.86 CNR2 (0.44) CNR2TRPV1MAPTALDH1A1LMNA
SCHEMBL20711367 0.85 CNR2 (0.49) CNR2TRPV1MAPTGRM2ALDH1A1
SCHEMBL4407849 0.84 CNR2 (0.51) CNR2TRPV1MAPTCYP1A2GRM2
SCHEMBL4406055 0.80 CNR2 (0.51) CNR2TRPV1MAPTCYP1A2GRM2
SCHEMBL4408138 0.79 ALDH1A1 (0.45) CYP1A2ALDH1A1KMT2ALMNAMEN1
SCHEMBL7413802 0.78 CNR2 (0.50) CNR2TRPV1MAPTCYP1A2GRM2
SCHEMBL4412065 0.78 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10KMT2ALMNA
SCHEMBL4407077 0.77 CNR2 (0.49) CNR2TRPV1MAPTGRM2ALDH1A1

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