SCHEMBL14699666

SCHEMBL14699666

COC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
ACHE P22303 5/20 0.47
CHRM1 P11229 4/20 0.45
SLC6A3 Q01959 4/20 0.45
SLC6A2 P23975 3/20 0.45
DRD3 P35462 3/20 0.45
HRH1 P35367 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRM2 P08172 2/20 0.45
DRD2 P14416 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
HTR2A P28223 2/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 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
SCHEMBL27260858 0.85 OPRM1 (0.50) CHRM1SLC6A3SLC6A2DRD3HRH1
SCHEMBL28018520 0.83 L3MBTL3 (0.56) CHRM1SLC6A3SLC6A2DRD3HRH1
SCHEMBL16225988 0.81 ACHE (0.51) MGLLACHECYP1A2CYP2D6CYP2C9
SCHEMBL7944686 0.77 ACHE (0.51) MGLLACHEOPRM1OPRK1CACNA1B
SCHEMBL6983812 0.77 ACHE (0.51) MGLLACHECHRM1SLC6A3SLC6A2
SCHEMBL16226399 0.77 ACHE (0.51) MGLLACHECHRM1SLC6A3SLC6A2
SCHEMBL12093605 0.74 LMNA (0.48) TSHRKCNH2LMNAHTTMAPT
SCHEMBL12368436 0.73 OPRM1 (0.49) CHRM1SLC6A3SLC6A2DRD3HRH1
SCHEMBL8477673 0.73 ACHE (0.51) MGLLACHECHRM1SLC6A3SLC6A2
SCHEMBL1677055 0.73 MEN1 (0.42) MGLLACHECHRM1SLC6A3SLC6A2

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-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed