SCHEMBL5279166

SCHEMBL5279166

CCCCn1nnc(CC(C)(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.31
HCAR3 P49019 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
SCHEMBL5279878 0.94 SLC9A1 (0.38) SLC9A1HCAR3
SCHEMBL5278277 0.91 SLC9A1 (0.33) SLC9A1
SCHEMBL5280521 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5276505 0.84 MAOA (0.31)
SCHEMBL5279686 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274107 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279955 0.79 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274744 0.78 SLC9A1 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5274641 0.78 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5278463 0.78 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3

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