SCHEMBL5279558

SCHEMBL5279558

CCCc1c(CC(C)C)nnn1CCC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.40
SLC9A1 P19634 1/20 0.34
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
SCHEMBL5277338 0.90 GRIA4 (0.38) GRIA4SLC9A1
SCHEMBL5277942 0.90 SLC9A1 (0.37) GRIA4SLC9A1GRM2
SCHEMBL5283272 0.89 GRIA4 (0.42) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5278254 0.88 GRIA4 (0.41) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5279209 0.88 GRIA1 (0.36) GRIA4SLC9A1
SCHEMBL5276556 0.87 SLC9A1 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5289426 0.86 GRIA4 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5280477 0.83 SLC9A1 (0.39) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5278642 0.83 SLC9A1 (0.37) GRIA4SLC9A1GRM2
SCHEMBL5278092 0.82 MAOB (0.40) GRIA4

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