SCHEMBL2316342

SCHEMBL2316342

C[C@H]1CN(CCC2(O)CCC(NC(=O)c3cc4c(OCc5coc6cc(OCC7CC7)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
LTA4H P09960 4/20 0.33
KMT2A Q03164 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
HTR2A P28223 1/20 0.32
MAOA P21397 1/20 0.32
HTR7 P34969 2/20 0.31
OPRM1 P35372 1/20 0.30
GSK3B P49841 1/20 0.30
ALB P02768 1/20 0.30
ACHE P22303 1/20 0.30
MAPT P10636 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
SCHEMBL12432707 1.00 MAOB (0.33) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL12433995 0.94 HTR7 (0.35) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL14135130 0.94 HTR7 (0.35) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL2317089 0.94 HTR7 (0.35) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL12433997 0.93 MAOB (0.39) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL2314393 0.93 MAOB (0.39) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL12433996 0.93 DRD2 (0.35) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL12432614 0.92 DRD2 (0.34) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL2315661 0.92 DRD2 (0.34) MAOBLTA4HKMT2ADRD2DRD3
SCHEMBL12432840 0.91 HTR7 (0.35) MAOBLTA4HKMT2ADRD2DRD3

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 disclosed