SCHEMBL5279271

SCHEMBL5279271

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 8/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
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
SCHEMBL5277983 0.90 SLC9A1 (0.36) GABRB3GABRA2GABRB2SLC9A1GRM2
SCHEMBL5276833 0.90 SLC9A1 (0.32) SLC9A1
SCHEMBL5282299 0.88 GABRB3 (0.35) GABRB3GABRA2GABRB2
SCHEMBL5279776 0.88 SLC9A1 (0.34) GABRB3GABRA2GABRB2SLC9A1ALDH1A1
SCHEMBL5276117 0.88 SLC9A1 (0.39) GABRB3GABRA2GABRB2SLC9A1
SCHEMBL5277711 0.86 GABRB3 (0.38) GABRB3GABRA2GABRB2SLC9A1ALDH1A1
SCHEMBL5276951 0.84 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5274747 0.84 SLC9A1 (0.32) SLC9A1
SCHEMBL5275463 0.83 GABRB3 (0.35) GABRB3GABRA2GABRB2
SCHEMBL5278191 0.83 GRIA4 (0.31) SLC9A1

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