SCHEMBL5282746

SCHEMBL5282746

CCCCn1nnc(CC(C)C)c1CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.35
GRM2 Q14416 1/20 0.32
GRIA4 P48058 1/20 0.31
TOP2A P11388 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
SCHEMBL5276174 0.94 SLC9A1 (0.38) SLC9A1
SCHEMBL5277057 0.91 GRIA4 (0.38) SLC9A1GRIA4
SCHEMBL5281302 0.88 SLC9A1 (0.35) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5283153 0.86 SLC9A1 (0.39) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5275676 0.86 SLC9A1 (0.39) SLC9A1GRM2TOP2A
SCHEMBL5273243 0.84 SLC9A1 (0.38) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5279931 0.84 GRIA1 (0.35) GRIA4
SCHEMBL5277324 0.84 SLC9A1 (0.38) SLC9A1GRM2TOP2A
SCHEMBL5280876 0.83 SLC9A1 (0.37) SLC9A1GRM2TOP2A
SCHEMBL5277693 0.83 SLC9A1 (0.37) SLC9A1GRM2TOP2A

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