SCHEMBL5278554

SCHEMBL5278554

CCCCc1c(CC(C)(C)C)nnn1CCCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
MAOB P27338 1/20 0.37
GRM2 Q14416 1/20 0.34
TOP2A P11388 1/20 0.33
HCAR3 P49019 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
SCHEMBL5277213 0.94 SLC9A1 (0.40) SLC9A1MAOBGRM2HCAR3
SCHEMBL5278183 0.94 MAOB (0.37) SLC9A1MAOB
SCHEMBL5282560 0.94 SLC9A1 (0.37) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5275676 0.90 SLC9A1 (0.39) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5278054 0.89 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275627 0.89 MAOB (0.35) MAOB
SCHEMBL5276419 0.88 SLC9A1 (0.40) SLC9A1MAOBGRM2HCAR3
SCHEMBL5280876 0.87 SLC9A1 (0.37) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5280775 0.84 SLC9A1 (0.42) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5277693 0.84 SLC9A1 (0.37) SLC9A1MAOBGRM2TOP2AHCAR3

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