SCHEMBL5283581

SCHEMBL5283581

CCCc1c(CC(C)(C)C)nnn1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
GABRB3 P28472 7/20 0.33
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
CHRM4 P08173 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
SCHEMBL5281142 0.89 MAOB (0.51) MAOB
SCHEMBL5280878 0.85 MAOB (0.37) MAOBGABRB3GABRA2GABRB2CHRM4
SCHEMBL5281584 0.85 MAOB (0.33) MAOBGABRB3GABRA2GABRB2CHRM4
SCHEMBL5277648 0.84 CHRM4 (0.36) MAOBCHRM4
SCHEMBL5275328 0.82 SLC9A1 (0.34) GABRB3
SCHEMBL5277670 0.82 MAOB (0.45) MAOBGABRB3GABRA2GABRB2
SCHEMBL5284348 0.80 MAOB (0.44) MAOBGABRB3GABRA2GABRB2
SCHEMBL5278866 0.80 GABRB3 (0.33) GABRB3
SCHEMBL5282560 0.80 SLC9A1 (0.37) MAOBGABRB3
SCHEMBL5286220 0.79 MAOB (0.44) MAOB

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