SCHEMBL5284159

SCHEMBL5284159

CCCCc1c(C(C)C)nnn1CCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.37
SLC9A1 P19634 5/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 1/20 0.31
UCHL3 P15374 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
SCHEMBL5291026 0.93 SLC9A1 (0.39) GRIA4SLC9A1MAOBALDH1A1GRM2
SCHEMBL5274246 0.90 SLC9A1 (0.42) SLC9A1MAOBALDH1A1GRM2
SCHEMBL5280886 0.89 GRIA4 (0.39) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5319598 0.88 GRIA1 (0.33) GRIA4SLC9A1MAOBUCHL3
SCHEMBL5280270 0.86 SLC9A1 (0.39) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5326407 0.84 GRIA4 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5279224 0.83 SLC9A1 (0.42) SLC9A1ALDH1A1GRM2
SCHEMBL5276386 0.82 MAOB (0.43) MAOB
SCHEMBL5286825 0.81 SLC9A1 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5275624 0.81 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2

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