SCHEMBL5283534

SCHEMBL5283534

CCCCc1c(C(C)(C)C)nnn1CCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.34
GRIA4 P48058 1/20 0.34
MAOB P27338 1/20 0.33
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
SCHEMBL5278440 0.93 SLC9A1 (0.39) SLC9A1MAOBGRM2
SCHEMBL5280453 0.90 SLC9A1 (0.42) SLC9A1MAOBALDH1A1GRM2
SCHEMBL5278494 0.89 SLC9A1 (0.36) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5281290 0.88 MAOB (0.31) SLC9A1GRIA4MAOB
SCHEMBL5275318 0.86 SLC9A1 (0.34) SLC9A1GRIA4MAOBALDH1A1GRM2
SCHEMBL5283265 0.86 SLC9A1 (0.39) SLC9A1GRM2
SCHEMBL5285555 0.85 MAOB (0.35) SLC9A1GRIA4MAOBALDH1A1GRM2
SCHEMBL5274695 0.84 SLC9A1 (0.37) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5276276 0.83 SLC9A1 (0.42) SLC9A1ALDH1A1GRM2
SCHEMBL5283676 0.82 MAOB (0.43) MAOB

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