SCHEMBL17067968

SCHEMBL17067968

CCC(C)N1CCN(C(=O)C(F)(F)F)[C@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
SLC6A9 P48067 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ACHE P22303 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL15233372 0.87 HRH3 (0.39) SMN1; SMN2DPP8DPP7DPP4SLC6A9
SCHEMBL14748113 0.77 NR1H3 (0.39) SMN1; SMN2
SCHEMBL17067941 0.77 NR1H3 (0.39) SMN1; SMN2
SCHEMBL23735937 0.77 JAK3 (0.39) SMN1; SMN2KDM4E
SCHEMBL14748116 0.74 KDM4E (0.46) KDM4EACHE
SCHEMBL13130609 0.73 TSHR (0.43) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL10196629 0.73 TSHR (0.34) PDK1PDK2PDK3PDK4
SCHEMBL3393183 0.73 PDK1 (0.43) PDK1PDK2PDK3PDK4
SCHEMBL17067975 0.71 DPP8 (0.37) DPP8DPP7DPP4ACHE
SCHEMBL20008949 0.70 HRH3 (0.38) SMN1; SMN2SLC6A9

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-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed