SCHEMBL19014176

SCHEMBL19014176

CCN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 4/20 0.34
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
VNN1 O95497 1/20 0.32
DPP4 P27487 1/20 0.32
GAA P10253 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
SCHEMBL19014043 0.84 JAK2 (0.37) JAK2JAK1SMN1; SMN2HSD11B1
SCHEMBL20682349 0.82 SPR (0.37) SPRJAK2JAK1SMN1; SMN2DPP8
SCHEMBL20353599 0.81 HSD11B1 (0.46) SPRSMN1; SMN2HSD11B1DPP8DPP7
SCHEMBL19014177 0.81 SPR (0.36) SPRJAK2JAK1SMN1; SMN2DPP8
SCHEMBL19014507 0.78 SPR (0.39) SPRJAK2JAK1SMN1; SMN2DPP8
SCHEMBL27897406 0.77 SPR (0.48) SPRSMN1; SMN2DPP8DPP7VNN1
SCHEMBL20682398 0.74 DPP4 (0.33) JAK2JAK1SMN1; SMN2HSD11B1DPP4
SCHEMBL19014181 0.73 JAK2 (0.35) JAK2JAK1SMN1; SMN2HSD11B1GAA
SCHEMBL19014064 0.73 JAK2 (0.36) SPRJAK2JAK1SMN1; SMN2
SCHEMBL10310052 0.72 SPR (0.43) SPRDPP8DPP7

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-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed