SCHEMBL5273243

SCHEMBL5273243

CCCCn1nnc(CC(C)C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
GRIA4 P48058 1/20 0.33
TOP2A P11388 1/20 0.33
HCAR3 P49019 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
SCHEMBL5280147 0.94 SLC9A1 (0.41) SLC9A1GRM2GRIA4HCAR3
SCHEMBL5283153 0.92 SLC9A1 (0.39) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5278254 0.90 GRIA4 (0.41) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5278642 0.89 SLC9A1 (0.37) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5277942 0.89 SLC9A1 (0.37) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5277547 0.87 SLC9A1 (0.38) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5283888 0.85 SLC9A1 (0.42) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5282746 0.84 SLC9A1 (0.35) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5277794 0.84 SLC9A1 (0.43) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5275700 0.83 SLC9A1 (0.40) SLC9A1GRM2GRIA4HCAR3

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