SCHEMBL2319013

SCHEMBL2319013

C[C@H]1CN(CCC2(O)CCC(NC(=O)Oc3cc4c(OCc5coc6cc(OCC7CC7)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.32
MAOB P27338 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2316454 0.94 LTA4H (0.33) LTA4HMAOB
SCHEMBL2315170 0.94 MAOB (0.37) LTA4HMAOB
SCHEMBL2314546 0.92 MAOB (0.33) LTA4HMAOB
SCHEMBL2319020 0.92 HTR7 (0.32) LTA4HMAOB
SCHEMBL2318162 0.92 LTA4H (0.32) LTA4HMAOB
SCHEMBL2313970 0.91 KCNH2 (0.31) LTA4H
SCHEMBL2317652 0.91 LTA4H (0.31) LTA4HMAOB
SCHEMBL2316342 0.91 MAOB (0.33) LTA4HMAOB
SCHEMBL12432707 0.91 MAOB (0.33) LTA4HMAOB
SCHEMBL2321390 0.90 CXCR3 (0.33) 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