SCHEMBL5325010

SCHEMBL5325010

CCCn1nnc(C(C)C)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
GRIA4 P48058 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5274327 0.90 SLC9A1 (0.37) SLC9A1GRM2
SCHEMBL5274793 0.87 SLC9A1 (0.40) SLC9A1ALDH1A1
SCHEMBL5280100 0.87 SLC9A1 (0.33) SLC9A1GRIA4
SCHEMBL5275680 0.86 SLC9A1 (0.31) SLC9A1
SCHEMBL5277823 0.84 SLC9A1 (0.35) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5350919 0.83 SLC9A1 (0.34) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5280510 0.80 SLC9A1 (0.33) SLC9A1GRIA4
SCHEMBL24770543 0.79
SCHEMBL25857797 0.79
SCHEMBL5278405 0.78 SLC9A1 (0.36) SLC9A1GRM2

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