SCHEMBL5285653

SCHEMBL5285653

CCCn1nnc(C(F)(F)C(F)(F)F)c1CC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
GRIA4 P48058 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5279353 0.90 SLC9A1 (0.37) SLC9A1GRM2
SCHEMBL5283747 0.89 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5286913 0.88 SLC9A1 (0.33) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5278204 0.87 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2
SCHEMBL5280790 0.86 SLC9A1 (0.36) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5275032 0.86 GRIA1 (0.31) SLC9A1GRIA4
SCHEMBL5281061 0.85 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5281336 0.84 GRIA4 (0.37) SLC9A1GRIA4
SCHEMBL5273557 0.81 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2
SCHEMBL5278337 0.81 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2

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