SCHEMBL5279697

SCHEMBL5279697

CCc1nnn(C)c1CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 3/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
MAOB P27338 1/20 0.33
CHRM4 P08173 1/20 0.31

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
SCHEMBL5280878 0.85 MAOB (0.37) GABRB3GABRA2GABRB2MAOBCHRM4
SCHEMBL5281584 0.84 MAOB (0.33) GABRB3GABRA2GABRB2MAOBCHRM4
SCHEMBL5286220 0.82 MAOB (0.44) MAOB
SCHEMBL5284450 0.81 GABRB3 (0.38) GABRB3GABRA2GABRB2MAOB
SCHEMBL5319341 0.79 GRIA1 (0.32)
SCHEMBL5277691 0.79 SLC9A1 (0.35) GABRB3GABRA2GABRB2
SCHEMBL5281013 0.78 GABRB3 (0.33) GABRB3GABRA2GABRB2
SCHEMBL5283581 0.77 MAOB (0.40) GABRB3GABRA2GABRB2MAOBCHRM4
SCHEMBL5277324 0.77 SLC9A1 (0.38) GABRB3GABRA2GABRB2

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