SCHEMBL3902887

SCHEMBL3902887

CN(C)C(=O)C1CCN([Pd])CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
BCHE P06276 1/20 0.38
CYP46A1 Q9Y6A2 10/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 2/20 0.36
MAPT P10636 1/20 0.36
NOTUM Q6P988 1/20 0.35
PDK2 Q15119 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
SCHEMBL2537519 0.80 BCHE (0.42) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL11209804 0.78 CYP2D6 (0.38) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL21545609 0.78 GLI1 (0.41) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL197080 0.78
SCHEMBL12436051 0.77 KDM4E (0.43) DPP4MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15976590 0.75 BCHE (0.43) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL4550355 0.75 SMN1; SMN2 (0.60) CYP2D6BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL12026413 0.75 MEN1 (0.42) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL1712529 0.75 CYP2D6 (0.40) CYP2D6BCHECYP46A1DPP4MEN1
SCHEMBL10205100 0.75 CYP2D6 (0.37) CYP2D6BCHECYP46A1DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed