SCHEMBL5281737

SCHEMBL5281737

CCn1nnc(C(F)(F)F)c1CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
SLC9A1 P19634 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
SCHEMBL5286431 0.87 GABRB3 (0.34) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279400 0.86
SCHEMBL5285018 0.85 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280110 0.83 SLC9A1 (0.36) SLC9A1
SCHEMBL5273731 0.82 GRIA1 (0.30) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5285777 0.81 GABRB3 (0.37) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5276795 0.81 SLC9A1 (0.39) SLC9A1
SCHEMBL5280019 0.79
SCHEMBL5274731 0.79 GABRA2 (0.35) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280415 0.78 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1

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