SCHEMBL5282103

SCHEMBL5282103

CCc1nnn(CC)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
NPC1 O15118 1/20 0.32
MAOA P21397 1/20 0.32
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL5279162 0.84 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2
SCHEMBL5277291 0.84 MAOA (0.33) SLC9A1NPC1MAOA
SCHEMBL5284531 0.84 SLC9A1 (0.32) SLC9A1NPC1MAOA
SCHEMBL5279051 0.82 MAOA (0.33) SLC9A1NPC1MAOA
SCHEMBL5274029 0.82 GABRB3 (0.36) SLC9A1NPC1MAOA
SCHEMBL5279042 0.82 MAOA (0.34) SLC9A1NPC1MAOA
SCHEMBL5285643 0.81 GRIA1 (0.30) SLC9A1
SCHEMBL5280309 0.81 SLC9A1 (0.40) SLC9A1GRM2
SCHEMBL5273778 0.79 GABRB3 (0.32) SLC9A1NPC1
SCHEMBL5280187 0.79 SLC9A1 (0.31) SLC9A1NPC1

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