SCHEMBL3233259

SCHEMBL3233259

CN(C)C1([C@H](N)c2ccccc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
AOC3 Q16853 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1350777 1.00 DPP4 (0.38) DPP4F2HTR2AHRH1OPRM1
SCHEMBL3237718 0.96 DPP4 (0.38) DPP4F2HTR2AHRH1OPRM1
SCHEMBL3245048 0.94 SLC6A2 (0.40) DPP4F2
SCHEMBL3232917 0.86 SLC6A2 (0.34) DPP4F2HTR2AHRH1AOC3
SCHEMBL3243802 0.86 OPRL1 (0.35) DPP4F2OPRL1AOC3LMNA
SCHEMBL3237835 0.79 CHRM2 (0.36) DPP4F2AOC3
SCHEMBL3915316 0.79 OPRM1 (0.45) HTR2AOPRM1OPRK1OPRL1AOC3
SCHEMBL3042414 0.78 SLC6A3 (0.40) AOC3
SCHEMBL3244382 0.78 DPP4 (0.32) DPP4F2HTR2AHRH1OPRM1
SCHEMBL3236836 0.75 LMNA (0.40) HTR2AHRH1OPRM1OPRK1OPRL1

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-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO disclosed