SCHEMBL5280339

SCHEMBL5280339

CCCCc1nnn(CCCC)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32
HCAR3 P49019 1/20 0.31
MAOB P27338 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
SCHEMBL5274197 0.94 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277032 0.94 SLC9A1 (0.32) SLC9A1MAOB
SCHEMBL5276038 0.94 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5284446 0.89 MAOA (0.30)
SCHEMBL5281667 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277886 0.88 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277816 0.87 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5275076 0.85 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5280229 0.84 SLC9A1 (0.33) SLC9A1GRM2
SCHEMBL5279160 0.84 MAOB (0.38) MAOB

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