SCHEMBL4664306

SCHEMBL4664306

CC(C)(C)N(C(=O)O)C1CCN(CCc2cccc3ccc(=O)oc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.40
TBXA2R P21731 2/20 0.38
OPRM1 P35372 15/20 0.38
SLC22A1 O15245 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB1 P08183 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
DRD4 P21917 1/20 0.36
MAOB P27338 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL3285028 0.79 DRD4 (0.46) XPO1TBXA2RCHRM1ADRA2BADRA2C
SCHEMBL13324277 0.78 TBXA2R (0.43) XPO1TBXA2RDRD2DRD4MAOB
SCHEMBL13324268 0.77 KCNA3 (0.49) XPO1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3281041 0.77 TBXA2R (0.42) XPO1TBXA2RDRD2DRD4MAOB
SCHEMBL13324269 0.75 TBXA2R (0.41) XPO1TBXA2RDRD4MAOBADRA1A
SCHEMBL15758902 0.72 KCNJ1 (0.64) KCNH2
SCHEMBL707084 0.71 DRD2 (0.42) OPRM1DRD2DRD3KCNH2
SCHEMBL5171694 0.69 OPRM1 (0.57) OPRM1SLC22A1NR1I2ABCB1CHRM1
SCHEMBL3100183 0.69 OPRM1 (0.37) OPRM1SLC22A1NR1I2ABCB1CHRM1
SCHEMBL4125301 0.68 ACHE (0.57) SIGMAR1

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-2007377-A2 ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007118130-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed