SCHEMBL5286913

SCHEMBL5286913

CCCc1c(C(F)(F)C(F)(F)F)nnn1CCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
GRIA4 P48058 1/20 0.33
GABRB3 P28472 4/20 0.31
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 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
SCHEMBL5281061 0.90 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5273813 0.90 SLC9A1 (0.36) SLC9A1GABRB3GRM2
SCHEMBL5277787 0.88 GABRB3 (0.32) GABRB3
SCHEMBL5285653 0.88 SLC9A1 (0.34) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5278761 0.88 GABRB3 (0.36) SLC9A1GRIA4GABRB3ALDH1A1GRM2
SCHEMBL5277160 0.88 SLC9A1 (0.39) SLC9A1
SCHEMBL5283747 0.84 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5287091 0.84 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5277063 0.83 GABRB3 (0.33) GABRB3
SCHEMBL5281336 0.83 GRIA4 (0.37) SLC9A1GRIA4

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