SCHEMBL4006876

SCHEMBL4006876

O=C1CCC(C(=O)N[C@@]2(c3ccc(C(F)(F)F)cn3)CCCNC2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.37
SCN9A Q15858 4/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PDE2A O00408 8/20 0.36
NPY5R Q15761 1/20 0.35
PDE10A Q9Y233 3/20 0.34
MAPKAPK2 P49137 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL4003526 0.76 SSTR4 (0.45) SLC6A9SCN9ADDB1CRBN
SCHEMBL4005188 0.73 PDE2A (0.38) PDE2APDE10A
SCHEMBL4006871 0.69 KMT2A (0.59) MEN1LMNAPOLBKMT2A
SCHEMBL4006881 0.69 KMT2A (0.59) MEN1LMNAPOLBKMT2A
SCHEMBL13256782 0.65 NPY5R (0.55) NPY5R
SCHEMBL16422569 0.65 NPY5R (0.55) NPY5R
SCHEMBL20707809 0.62 NPY5R (0.71) NPY5RMEN1LMNAPOLBKMT2A
SCHEMBL4005570 0.62 SSTR4 (0.49) SLC6A9SCN9ALMNA
SCHEMBL32683622 0.61 OPRM1 (0.44)
SCHEMBL4006087 0.61 SSTR4 (0.54) SLC6A9SCN9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed