SCHEMBL5288008

SCHEMBL5288008

CCn1nnc(Br)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5276766 0.85 GRM2 (0.34) GRM2SLC9A1NPC1
SCHEMBL5282607 0.85 GRM2 (0.39) GRM2SLC9A1
SCHEMBL5276065 0.82 GRM2 (0.42) GRM2SLC9A1
SCHEMBL5276307 0.82 GRM2 (0.37) GRM2SLC9A1NPC1
SCHEMBL5275433 0.80 GRM2 (0.36) GRM2SLC9A1NPC1
SCHEMBL5283121 0.79 SLC9A1 (0.42) GRM2SLC9A1
SCHEMBL5278007 0.78 GABRB3 (0.34) GRM2SLC9A1NPC1
SCHEMBL5283262 0.78 SLC9A1 (0.33) GRM2SLC9A1NPC1
SCHEMBL5280277 0.78 SLC9A1 (0.33) GRM2SLC9A1NPC1
SCHEMBL5275163 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