SCHEMBL5282901

SCHEMBL5282901

CCCn1nnc(Br)c1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
GRIA4 P48058 1/20 0.41
SLC9A1 P19634 2/20 0.39
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TOP2A P11388 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5278637 0.90 GRM2 (0.44) GRM2GRIA4SLC9A1HCAR3TOP2A
SCHEMBL5278575 0.87 SLC9A1 (0.44) GRM2GRIA4SLC9A1HCAR3ALDH1A1
SCHEMBL5278113 0.85 GRIA1 (0.38) GRM2GRIA4SLC9A1
SCHEMBL5278524 0.81 GRM2 (0.42) GRM2GRIA4SLC9A1HCAR3ALDH1A1
SCHEMBL5283272 0.80 GRIA4 (0.42) GRM2GRIA4SLC9A1ALDH1A1TOP2A
SCHEMBL5283283 0.80 GRIA4 (0.42) GRM2GRIA4SLC9A1HCAR3ALDH1A1
SCHEMBL5281430 0.79 GRM2 (0.41) GRM2GRIA4SLC9A1HCAR3ALDH1A1
SCHEMBL5276996 0.79 GRIA4 (0.41) GRM2GRIA4SLC9A1ALDH1A1TOP2A
SCHEMBL5280654 0.79 GRIA4 (0.41) GRM2GRIA4SLC9A1ALDH1A1TOP2A
SCHEMBL5277274 0.79 GRIA4 (0.41) GRM2GRIA4SLC9A1ALDH1A1TOP2A

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