SCHEMBL5285979

SCHEMBL5285979

CCCc1nnn(CCC)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.31
GABRB3 P28472 4/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL5279606 0.91 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5280447 0.89 SLC9A1 (0.39) SLC9A1GRM2TOP2A
SCHEMBL5277291 0.87 MAOA (0.33) SLC9A1GABRB3GABRA2GABRB2
SCHEMBL5279162 0.87 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5277195 0.86 SLC9A1 (0.42) SLC9A1ALDH1A1
SCHEMBL5282616 0.84 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5277711 0.84 GABRB3 (0.38) SLC9A1ALDH1A1GRM2TOP2AGABRB3
SCHEMBL5280406 0.84 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2AGABRB3
SCHEMBL5275701 0.84 SLC9A1 (0.40) SLC9A1GRM2TOP2A
SCHEMBL5277157 0.81 MAOB (0.33) GABRB3GABRA2GABRB2

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