SCHEMBL19014177

SCHEMBL19014177

CNN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
VNN1 O95497 2/20 0.33
LRRK2 Q5S007 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL20682349 0.82 SPR (0.37) SPRJAK2JAK1SMN1; SMN2VNN1
SCHEMBL19014176 0.81 SPR (0.36) SPRJAK2JAK1SMN1; SMN2VNN1
SCHEMBL19014507 0.78 SPR (0.39) SPRJAK2JAK1SMN1; SMN2VNN1
SCHEMBL27897406 0.77 SPR (0.48) SPRSMN1; SMN2VNN1CRHBPCRHR2
SCHEMBL19014064 0.73 JAK2 (0.36) SPRJAK2JAK1SMN1; SMN2
SCHEMBL19014554 0.72 POLB (0.47) SPRSMN1; SMN2VNN1CRHBPCRHR2
SCHEMBL20682368 0.71 ATM (0.37) JAK2JAK1RXFP1
SCHEMBL4550272 0.70 SPR (0.46) SPRSMN1; SMN2VNN1RXFP1DPP8
SCHEMBL19014320 0.70 JAK2 (0.31) SPRJAK2JAK1
SCHEMBL18390508 0.70 CYP2D6 (0.44) SPRJAK2JAK1SMN1; SMN2DPP8

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