SCHEMBL5280229

SCHEMBL5280229

CCCc1nnn(CCC)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
GABRB3 P28472 4/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
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
SCHEMBL5276038 0.90 SLC9A1 (0.36) SLC9A1GABRB3GABRA2GABRB2GRM2
SCHEMBL5277032 0.90 SLC9A1 (0.32) SLC9A1
SCHEMBL5276541 0.88 GABRB3 (0.32) GABRB3GABRA2GABRB2
SCHEMBL5282921 0.88 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5277886 0.88 SLC9A1 (0.39) SLC9A1
SCHEMBL5280406 0.86 SLC9A1 (0.35) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5280339 0.84 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5279616 0.84 SLC9A1 (0.32) SLC9A1
SCHEMBL5279388 0.83 GABRB3 (0.33) GABRB3GABRA2GABRB2
SCHEMBL5273555 0.83 GRIA4 (0.31) SLC9A1

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