SCHEMBL5277338

SCHEMBL5277338

CCCCc1c(CC(C)C)nnn1CCC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.38
MAOB P27338 1/20 0.37
SLC9A1 P19634 3/20 0.33

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
SCHEMBL5278642 0.94 SLC9A1 (0.37) GRIA4MAOBSLC9A1
SCHEMBL5275700 0.91 SLC9A1 (0.40) GRIA4MAOBSLC9A1
SCHEMBL5279558 0.90 GRIA4 (0.40) GRIA4SLC9A1
SCHEMBL5279244 0.89 GRIA1 (0.35) GRIA4MAOB
SCHEMBL5277942 0.87 SLC9A1 (0.37) GRIA4MAOBSLC9A1
SCHEMBL5274842 0.87 GRIA4 (0.38) GRIA4MAOBSLC9A1
SCHEMBL5283272 0.86 GRIA4 (0.42) GRIA4SLC9A1
SCHEMBL5278254 0.85 GRIA4 (0.41) GRIA4SLC9A1
SCHEMBL5282446 0.84 MAOB (0.41) GRIA4MAOBSLC9A1
SCHEMBL5276556 0.84 SLC9A1 (0.40) GRIA4MAOBSLC9A1

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