SCHEMBL5285591

SCHEMBL5285591

CCn1nnc(C(F)(F)F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
TOP2A P11388 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
SCHEMBL5281864 0.85 GRM2 (0.34) GRM2SLC9A1NPC1
SCHEMBL5276317 0.85 GRM2 (0.39) GRM2SLC9A1TOP2A
SCHEMBL5276023 0.82 GRM2 (0.42) GRM2SLC9A1TOP2A
SCHEMBL5277929 0.82 GRM2 (0.37) GRM2SLC9A1NPC1TOP2A
SCHEMBL5274103 0.82 GRM2 (0.37) GRM2SLC9A1NPC1TOP2A
SCHEMBL5281853 0.79 SLC9A1 (0.42) GRM2SLC9A1TOP2A
SCHEMBL5273556 0.78 SLC9A1 (0.33) GRM2SLC9A1NPC1
SCHEMBL5280277 0.78 SLC9A1 (0.33) GRM2SLC9A1NPC1
SCHEMBL5278258 0.78 MAOA (0.35) GRM2SLC9A1NPC1
SCHEMBL5276428 0.77 GRM2 (0.34) GRM2SLC9A1NPC1

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