SCHEMBL5284573

SCHEMBL5284573

CCc1c(CC(C)(C)C)nnn1CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.31
MAOA P21397 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
SCHEMBL5278979 0.90 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5286710 0.85 SLC9A1 (0.35) GRIA4SLC9A1
SCHEMBL5278866 0.85 GABRB3 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5281013 0.85 GABRB3 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5278009 0.82 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5278054 0.82 SLC9A1 (0.38) SLC9A1
SCHEMBL5275627 0.82 MAOB (0.35) MAOA
SCHEMBL5275895 0.81 GABRB3 (0.37) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5273494 0.80 SLC9A1 (0.41) SLC9A1
SCHEMBL5275204 0.78 MAOA (0.44) SLC9A1NPC1MAOA

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