SCHEMBL16631067

SCHEMBL16631067

NCc1cccc(COc2ccc3c(c2)COc2cc(CCC(=O)F)ccc2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
MAOB P27338 14/20 0.45
MAOA P21397 8/20 0.45
GRM5 P41594 3/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL18165309 0.83 FFAR1 (0.51) MAOBMAOAFFAR1FFAR4
SCHEMBL22540441 0.81 FFAR1 (0.49) MAOBMAOAFFAR1FFAR4
SCHEMBL17954215 0.75 MAOB (0.48) MAOBMAOAGRM5
SCHEMBL16631357 0.74 ROCK2 (0.41) MAOA
SCHEMBL20216002 0.74 MAOB (0.47) MAOBMAOAGRM5
SCHEMBL18165301 0.70 AKR1B1 (0.47) MAOBMAOAFFAR1FFAR4
SCHEMBL803144 0.70 MAOB (0.66) MAOBMAOAGRM5
SCHEMBL17954248 0.69 MAOB (0.42) MAOBMAOAGRM5
SCHEMBL16631329 0.69 ROCK2 (0.44) MAOBMAOA
SCHEMBL802631 0.67 MAOB (0.64) MAOBMAOAGRM5

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-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed