SCHEMBL5283666

SCHEMBL5283666

CCCCc1c(Br)nnn1CCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
SLC9A1 P19634 5/20 0.36
GRIA4 P48058 1/20 0.36
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TOP2A P11388 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 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
SCHEMBL5282462 0.93 GRM2 (0.44) GRM2SLC9A1MAOBTOP2A
SCHEMBL5282518 0.89 SLC9A1 (0.44) GRM2SLC9A1MAOBALDH1A1
SCHEMBL5281430 0.89 GRM2 (0.41) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5273480 0.87 GRM2 (0.35) GRM2SLC9A1GRIA4MAOB
SCHEMBL5278986 0.85 GRM2 (0.44) GRM2SLC9A1TOP2A
SCHEMBL5278524 0.82 GRM2 (0.42) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5287644 0.82 SLC9A1 (0.44) GRM2SLC9A1ALDH1A1
SCHEMBL5281133 0.81 MAOB (0.45) GRM2MAOB
SCHEMBL5278898 0.79 GRM2 (0.45) GRM2SLC9A1GRIA4TOP2A
SCHEMBL5282446 0.79 MAOB (0.41) GRM2SLC9A1GRIA4MAOBALDH1A1

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