SCHEMBL16892178

SCHEMBL16892178

C[C@H](NCc1cccc(COc2cccc3c2OCO3)c1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
MAOA P21397 4/20 0.51
SCN9A Q15858 2/20 0.51
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16892159 0.92 MAOB (0.50) MAOBMAOASCN9A
SCHEMBL16892179 0.86 MAOB (0.44) MAOBMAOASCN9A
SCHEMBL16892157 0.83 SPHK2 (0.49) KMT2ATDP1L3MBTL1
SCHEMBL16892175 0.82 MAOB (0.60) MAOBMAOASCN9A
SCHEMBL16892177 0.82 MAOB (0.60) MAOBMAOASCN9A
SCHEMBL16892223 0.81 SCN9A (0.48) MAOBMAOASCN9A
SCHEMBL28505222 0.80 MAOB (0.52) MAOBMAOASCN9A
SCHEMBL30705321 0.80 MAOB (0.52) MAOBMAOASCN9A
SCHEMBL28505223 0.80 MAOB (0.52) MAOBMAOASCN9A
SCHEMBL28498221 0.79 MAOB (0.50) MAOBMAOASCN9A

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
WO-2015101294-A1 COMPOUNDS WITH ANALGESIC ACTIVITY AND MEDICAL USE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 2015-07-09 WO disclosed