SCHEMBL2599237

SCHEMBL2599237

COc1cccc(C2CN(Cc3ccccc3)CC2[C@H](C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.47
CHRM4 P08173 1/20 0.46
FAAH O00519 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 3/20 0.43
RORC P51449 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL852326 0.82 DRD2 (0.54) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL2598185 0.81 F10 (0.53) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1804309 0.81 F10 (0.53) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1804308 0.81 F10 (0.53) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL2599329 0.80 DRD2 (0.51) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1805980 0.79 DRD2 (0.50) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1805976 0.79 DRD2 (0.50) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1805972 0.79 DRD2 (0.50) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL2599239 0.79 DRD2 (0.50) SIGMAR1DRD2DRD3LMNAMAPT
SCHEMBL1804589 0.78 SIGMAR1 (0.47) SIGMAR1DRD2DRD3LMNAMAPT

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
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed