SCHEMBL5319598

SCHEMBL5319598

CCCCc1c(C(C)C)nnn1CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
UCHL3 P15374 1/20 0.31
MAOB P27338 1/20 0.31
SLC9A1 P19634 2/20 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
SCHEMBL5323200 0.89 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5284159 0.88 GRIA4 (0.37) GRIA4UCHL3MAOBSLC9A1
SCHEMBL5291026 0.88 SLC9A1 (0.39) GRIA4UCHL3MAOBSLC9A1
SCHEMBL5274246 0.85 SLC9A1 (0.42) MAOBSLC9A1
SCHEMBL5275884 0.81 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280270 0.81 SLC9A1 (0.39) GRIA4SLC9A1
SCHEMBL5276386 0.80 MAOB (0.43) MAOB
SCHEMBL5278616 0.79 MAOB (0.31) MAOB
SCHEMBL5279224 0.78 SLC9A1 (0.42) SLC9A1
SCHEMBL5279956 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1

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