SCHEMBL5280869

SCHEMBL5280869

CCn1nnc(CC(C)C)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
MAOA P21397 1/20 0.31
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
SCHEMBL5279469 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5273224 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5276102 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5279209 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5283272 0.85 GRIA4 (0.42) GRIA4SLC9A1
SCHEMBL5278009 0.84 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5281067 0.84 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAOA
SCHEMBL5279244 0.84 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAOA
SCHEMBL5279931 0.84 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5283153 0.82 SLC9A1 (0.39) GRIA4SLC9A1

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