SCHEMBL5284199

SCHEMBL5284199

CCc1c(C(C)(C)C)nnn1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL5285018 0.88 GRIA1 (0.32) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5280937 0.84 GRIA1 (0.32) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5274695 0.84 SLC9A1 (0.37) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5286431 0.82 GABRB3 (0.34) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5280201 0.82 GRIA1 (0.33) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5281290 0.81 MAOB (0.31) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5277045 0.81 SLC9A1 (0.40) SLC9A1GRM2
SCHEMBL5282933 0.81 GRIA1 (0.36) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5286771 0.79 GRIA1 (0.31) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5275032 0.79 GRIA1 (0.31) SLC9A1GRIA1GRIA2GRIA3GRIA4

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