SCHEMBL5285819

SCHEMBL5285819

CCCn1nnc(CC)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
GABRB3 P28472 7/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.33
TOP2A P11388 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
SCHEMBL5276325 0.89 SLC9A1 (0.39) SLC9A1GABRB3GABRA2GABRB2GRM2
SCHEMBL5277711 0.87 GABRB3 (0.38) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5286619 0.86 SLC9A1 (0.42) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5279776 0.86 SLC9A1 (0.34) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5274029 0.85 GABRB3 (0.36) SLC9A1GABRB3GABRA2GABRB2
SCHEMBL5276143 0.84 SLC9A1 (0.33) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5276492 0.84 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5279162 0.83 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5279298 0.83 GRIA4 (0.33) SLC9A1
SCHEMBL5286419 0.81 SLC9A1 (0.36) SLC9A1GABRB3ALDH1A1GRM2TOP2A

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