SCHEMBL2314546

SCHEMBL2314546

COCCCOc1ccc2c(COc3cccc4[nH]c(OC(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
LTA4H P09960 3/20 0.32
HTR7 P34969 2/20 0.31
MAOA P21397 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
SCHEMBL2318162 0.95 LTA4H (0.32) MAOBLTA4HHTR7
SCHEMBL2315170 0.94 MAOB (0.37) MAOBLTA4H
SCHEMBL2316454 0.93 LTA4H (0.33) MAOBLTA4HHTR7MAOA
SCHEMBL2319020 0.93 HTR7 (0.32) MAOBLTA4HHTR7
SCHEMBL2314928 0.92 MAOB (0.31) MAOBLTA4H
SCHEMBL2317652 0.92 LTA4H (0.31) MAOBLTA4H
SCHEMBL2319013 0.92 LTA4H (0.32) MAOBLTA4H
SCHEMBL2315661 0.91 DRD2 (0.34) MAOBLTA4HHTR7MAOA
SCHEMBL12432614 0.91 DRD2 (0.34) MAOBLTA4HHTR7MAOA
SCHEMBL2313970 0.90 KCNH2 (0.31) LTA4H

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-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP claimed