SCHEMBL5282560

SCHEMBL5282560

CCCCn1nnc(CC(C)(C)C)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
GRM2 Q14416 1/20 0.34
TOP2A P11388 1/20 0.33
HCAR3 P49019 1/20 0.31
MAOB P27338 1/20 0.31
GABRB3 P28472 2/20 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
SCHEMBL5276419 0.94 SLC9A1 (0.40) SLC9A1GRM2HCAR3MAOB
SCHEMBL5278554 0.94 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5275328 0.90 SLC9A1 (0.34) SLC9A1GRM2GABRB3
SCHEMBL5275676 0.90 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5278054 0.89 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277213 0.88 SLC9A1 (0.40) SLC9A1GRM2HCAR3MAOB
SCHEMBL5278183 0.87 MAOB (0.37) SLC9A1MAOB
SCHEMBL5277693 0.87 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5278866 0.85 GABRB3 (0.33) SLC9A1GABRB3
SCHEMBL5276362 0.84 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOB

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