SCHEMBL5277192

SCHEMBL5277192

CCCCc1nnn(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
HSD11B1 P28845 2/20 0.35
GABRB3 P28472 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
MAOA P21397 1/20 0.32
TSHR P16473 1/20 0.32
TGFBR1 P36897 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC9A1 P19634 1/20 0.30
CACNA2D1 P54289 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL22810947 0.92 MAOB (0.41) MAOBHSD11B1HRH3SLC9A1CACNA2D1
SCHEMBL5284084 0.87 GABRB3 (0.41) MAOBGABRB3GABRA2GABRB2MAOA
SCHEMBL5275440 0.83 MAOB (0.58) MAOBHSD11B1MAOAHRH3SLC9A1
SCHEMBL5282328 0.82 MAOB (0.53) MAOBHSD11B1GABRB3GABRA2GABRB2
SCHEMBL5277268 0.82 MAOB (0.49) MAOBHSD11B1GABRB3MAOA
SCHEMBL5273967 0.80 MAOA (0.40) MAOBHSD11B1GABRB3GABRA2GABRB2
SCHEMBL5278890 0.80 SLC9A1 (0.42) MAOBHSD11B1GABRB3MAOATSHR
SCHEMBL5278588 0.78
SCHEMBL5274168 0.78 MAOB (0.42) MAOBHSD11B1
SCHEMBL5280096 0.78 MAOB (0.42) MAOBHSD11B1

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