SCHEMBL5280937

SCHEMBL5280937

CCCc1c(C(C)(C)C)nnn1CC

nearest known ligand 0.32

Predicted protein targets (top 6)

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

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
SCHEMBL5281290 0.89 MAOB (0.31) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5278494 0.87 SLC9A1 (0.36) GRIA4SLC9A1
SCHEMBL5285777 0.85 GABRB3 (0.37) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5284199 0.84 SLC9A1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5283265 0.84 SLC9A1 (0.39) SLC9A1
SCHEMBL5279254 0.83 GRIA1 (0.31) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5276276 0.81 SLC9A1 (0.42) SLC9A1
SCHEMBL5285018 0.81 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5277787 0.80 GABRB3 (0.32)
SCHEMBL5280291 0.80

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