SCHEMBL5286431

SCHEMBL5286431

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 4/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5281737 0.87 GRIA1 (0.30) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5285777 0.86 GABRB3 (0.37) GABRB3GABRA2GABRB2GRIA1GRIA2
SCHEMBL5275032 0.85 GRIA1 (0.31) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280790 0.85 SLC9A1 (0.36) GABRB3GABRA2GABRB2GRIA4SLC9A1
SCHEMBL5274731 0.83 GABRA2 (0.35) GABRB3GABRA2GABRB2GRIA1GRIA2
SCHEMBL5278901 0.82 SLC9A1 (0.39) GABRB3GABRA2GABRB2SLC9A1
SCHEMBL5279102 0.82 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5284199 0.82 SLC9A1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280201 0.80 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5282523 0.79 SLC9A1 (0.42) GABRB3GABRA2GABRB2SLC9A1

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