SCHEMBL5283283

SCHEMBL5283283

CCCn1nnc(C)c1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.42
SLC9A1 P19634 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HCAR3 P49019 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
TOP2A P11388 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5275356 0.89 SLC9A1 (0.39) GRIA4SLC9A1HCAR3GRIA1GRIA2
SCHEMBL5279798 0.86 SLC9A1 (0.42) GRIA4SLC9A1ALDH1A1HCAR3GRM2
SCHEMBL5282072 0.85 GRIA1 (0.39) GRIA4SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5283272 0.81 GRIA4 (0.42) GRIA4SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5275678 0.80 SLC9A1 (0.40) GRIA4SLC9A1ADORA2AADORA2BALDH1A1
SCHEMBL5276996 0.80 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5280654 0.80 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5282901 0.80 GRM2 (0.41) GRIA4SLC9A1ALDH1A1HCAR3GRM2
SCHEMBL5277274 0.80 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5275624 0.80 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2TOP2A

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