SCHEMBL2318366

SCHEMBL2318366

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.35
DRD2 P14416 4/20 0.33
HTR1A P08908 1/20 0.33
HTR6 P50406 1/20 0.33
DRD3 P35462 4/20 0.32
LTA4H P09960 3/20 0.32
MAOB P27338 3/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MAOA P21397 1/20 0.31
DRD4 P21917 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL12432840 1.00 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL2314376 0.98 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL12432708 0.98 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL12432614 0.95 DRD2 (0.34) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL2315661 0.95 DRD2 (0.34) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL14135130 0.95 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL12433995 0.95 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL2317089 0.95 HTR7 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL12433996 0.94 DRD2 (0.35) HTR7DRD2HTR1AHTR6DRD3
SCHEMBL2314393 0.92 MAOB (0.39) DRD2DRD3LTA4HMAOBKMT2A

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