SCHEMBL5276038

SCHEMBL5276038

CCCCn1nnc(CCC)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

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
GABRB3 P28472 2/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL5277886 0.94 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5280339 0.94 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280229 0.90 SLC9A1 (0.33) SLC9A1GRM2GABRB3GABRA2GABRB2
SCHEMBL5281667 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274197 0.88 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277032 0.88 SLC9A1 (0.32) SLC9A1
SCHEMBL5275006 0.87 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3GABRB3
SCHEMBL5276541 0.85 GABRB3 (0.32) GABRB3GABRA2GABRB2
SCHEMBL5275076 0.85 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5284926 0.84 SLC9A1 (0.34) SLC9A1GRM2TOP2A

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