SCHEMBL5279702

SCHEMBL5279702

CCCc1c(C(Cl)(Cl)C(Cl)(Cl)Cl)nnn1CCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
GRIA4 P48058 1/20 0.33
ALDH1A1 P00352 2/20 0.30
GRM2 Q14416 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5275117 0.90 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5275483 0.90 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5279515 0.88 SLC9A1 (0.34) SLC9A1GRIA4ALDH1A1GRM2CYP1A2
SCHEMBL5280291 0.88
SCHEMBL5280485 0.88 SLC9A1 (0.39) SLC9A1
SCHEMBL5277246 0.86 SLC9A1 (0.35) SLC9A1GRIA4ALDH1A1GRM2CYP1A2
SCHEMBL5281453 0.84 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5283416 0.84 GRIA4 (0.32) SLC9A1GRIA4
SCHEMBL5275998 0.83 MAOB (0.31)
SCHEMBL5287025 0.83 GRIA4 (0.37) SLC9A1GRIA4

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