SCHEMBL5282072

SCHEMBL5282072

CCn1nnc(C)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5283283 0.85 GRIA4 (0.42) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5275356 0.82 SLC9A1 (0.39) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280869 0.80 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279798 0.79 SLC9A1 (0.42) GRIA4SLC9A1
SCHEMBL5279477 0.79 GABRB3 (0.37) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279736 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5273297 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5278113 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279956 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279469 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