SCHEMBL5276162

SCHEMBL5276162

CCCc1c(C)nnn1CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.40
SLC9A1 P19634 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
NPC1 O15118 1/20 0.33
MAOA P21397 1/20 0.33
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM2 Q14416 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
SCHEMBL5279076 0.88 MAOB (0.33) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5279133 0.85 SLC9A1 (0.39) GABRB3SLC9A1GRIA4ADORA2AADORA2B
SCHEMBL5279477 0.82 GABRB3 (0.37) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5277904 0.82 SLC9A1 (0.42) GABRB3SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5279279 0.79 SLC9A1 (0.45) GABRB3SLC9A1ALDH1A1GRM2
SCHEMBL20831303 0.78 SLC9A1 (0.34) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5276373 0.78 GABRB3 (0.40) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5275230 0.77 GRM2 (0.37) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5280687 0.77 SLC9A1 (0.33) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5287838 0.77 GABRB3 (0.41) GABRB3SLC9A1GRIA1GRIA2GRIA3

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