SCHEMBL2318162

SCHEMBL2318162

CCOCCCOc1ccc2c(COc3cccc4[nH]c(OC(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.32
HTR7 P34969 2/20 0.32
MAOB P27338 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
SCHEMBL2319020 0.98 HTR7 (0.32) LTA4HHTR7MAOB
SCHEMBL2314546 0.95 MAOB (0.33) LTA4HHTR7MAOB
SCHEMBL2316454 0.95 LTA4H (0.33) LTA4HHTR7MAOB
SCHEMBL2315170 0.92 MAOB (0.37) LTA4HMAOB
SCHEMBL2317652 0.92 LTA4H (0.31) LTA4HMAOB
SCHEMBL2319013 0.92 LTA4H (0.32) LTA4HMAOB
SCHEMBL2318366 0.91 HTR7 (0.35) LTA4HHTR7MAOB
SCHEMBL12432840 0.91 HTR7 (0.35) LTA4HHTR7MAOB
SCHEMBL2313970 0.90 KCNH2 (0.31) LTA4H
SCHEMBL2314928 0.90 MAOB (0.31) LTA4HMAOB

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