SCHEMBL5280305

SCHEMBL5280305

CCCCn1nnc(C(C)(C)C)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

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

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
SCHEMBL5278608 0.94 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277947 0.90 SLC9A1 (0.33) SLC9A1GRM2
SCHEMBL5275135 0.90 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275403 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5276829 0.88 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5281734 0.87 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274871 0.86 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5278592 0.85 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5281787 0.84 SLC9A1 (0.41) SLC9A1GRM2HCAR3
SCHEMBL5276332 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