SCHEMBL5282446

SCHEMBL5282446

CCCCc1nnn(CCC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
SLC9A1 P19634 5/20 0.37
GRIA4 P48058 1/20 0.36
MAOA P21397 1/20 0.35
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TOP2A P11388 2/20 0.32
HCAR3 P49019 1/20 0.30
HSD11B1 P28845 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5284894 0.94 MAOB (0.40) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5275217 0.94 MAOB (0.37) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5280775 0.92 SLC9A1 (0.42) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5274550 0.91 MAOB (0.40) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5283906 0.91 MAOB (0.37) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5281801 0.89 SLC9A1 (0.45) MAOBSLC9A1MAOAGRM2ALDH1A1
SCHEMBL5282929 0.87 SLC9A1 (0.41) MAOBSLC9A1MAOAGRM2TOP2A
SCHEMBL9944053 0.87 SLC9A1 (0.44) MAOBSLC9A1MAOAGRM2ALDH1A1
SCHEMBL5279151 0.87 SLC9A1 (0.41) MAOBSLC9A1MAOAGRM2ALDH1A1
SCHEMBL5289568 0.86 MAOB (0.39) MAOBSLC9A1GRIA4MAOA

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