SCHEMBL5283005

SCHEMBL5283005

CCCCn1nnc(C(F)(F)F)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
GRIA4 P48058 1/20 0.31
TOP2A P11388 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HCAR3 P49019 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
SCHEMBL5284978 0.94 SLC9A1 (0.38) SLC9A1GRIA4LMNAHTTHCAR3
SCHEMBL5278511 0.91 GRIA4 (0.38) SLC9A1GRIA4
SCHEMBL5278461 0.88 SLC9A1 (0.34) SLC9A1GRM2GRIA4TOP2A
SCHEMBL5279851 0.86 SLC9A1 (0.36) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5278546 0.85 SLC9A1 (0.36) SLC9A1GRM2GRIA4TOP2AHCAR3
SCHEMBL5281116 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5279102 0.84 GRIA1 (0.36) GRIA4
SCHEMBL5278901 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5284621 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5274673 0.83 SLC9A1 (0.37) 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