SCHEMBL5280087

SCHEMBL5280087

CCCn1nnc(C(C)C)c1CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.36
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 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
SCHEMBL5275722 0.90 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5284880 0.88 SLC9A1 (0.39) SLC9A1ALDH1A1
SCHEMBL5273639 0.86 GRIA1 (0.33) GRIA4SLC9A1
SCHEMBL5326407 0.82 GRIA4 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5280886 0.81 GRIA4 (0.39) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5275624 0.79 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5279246 0.79 GRIA1 (0.30) GRIA4
SCHEMBL5284159 0.78 GRIA4 (0.37) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5277057 0.78 GRIA4 (0.38) GRIA4SLC9A1
SCHEMBL5276074 0.77 SLC9A1 (0.36) 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