SCHEMBL5281584

SCHEMBL5281584

CCc1c(CC(C)(C)C)nnn1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
CHRM4 P08173 1/20 0.31
GABRB3 P28472 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL5277648 0.88 CHRM4 (0.36) MAOBCHRM4
SCHEMBL5283581 0.85 MAOB (0.40) MAOBCHRM4GABRB3GABRA2GABRB2
SCHEMBL5279697 0.84 GABRB3 (0.33) MAOBCHRM4GABRB3GABRA2GABRB2
SCHEMBL5281142 0.82 MAOB (0.51) MAOB
SCHEMBL5284450 0.81 GABRB3 (0.38) MAOBGABRB3GABRA2GABRB2
SCHEMBL5286710 0.79 SLC9A1 (0.35)
SCHEMBL5284922 0.79 GRIA1 (0.32)
SCHEMBL5280875 0.79 CHRM4 (0.36) CHRM4
SCHEMBL5284573 0.78 GRIA1 (0.32)
SCHEMBL5280878 0.77 MAOB (0.37) MAOBCHRM4GABRB3GABRA2GABRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed