SCHEMBL852326

SCHEMBL852326

COc1cccc(C2CN(Cc3ccccc3)CC2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
SIGMAR1 Q99720 3/20 0.52
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
F10 P00742 2/20 0.48
CHRM4 P08173 1/20 0.48
FAAH O00519 1/20 0.48
RORC P51449 1/20 0.48
GPR39 O43194 1/20 0.47
S1PR5 Q9H228 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1804308 0.91 F10 (0.53) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL2598185 0.91 F10 (0.53) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL1804309 0.91 F10 (0.53) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL2599329 0.90 DRD2 (0.51) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL23923817 0.88 RORC (0.58) DRD2DRD3SIGMAR1HTTFAAH
SCHEMBL13362731 0.88 RORC (0.58) DRD2DRD3SIGMAR1HTTFAAH
SCHEMBL1898230 0.85 F10 (0.49) F10CHRM4RORCS1PR5
SCHEMBL8313881 0.85 DRD2 (0.55) DRD2DRD3SIGMAR1MAPTS1PR5
SCHEMBL8313885 0.85 DRD2 (0.55) DRD2DRD3SIGMAR1MAPTS1PR5
SCHEMBL1895760 0.84 CCR5 (0.57) MAPTHTTF10FAAHRORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed