SCHEMBL470478

SCHEMBL470478

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2N)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
NTRK1 P04629 5/20 0.37
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
DPP4 P27487 2/20 0.33
NPY5R Q15761 4/20 0.33
AAK1 Q2M2I8 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
F2R P25116 1/20 0.32

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
SCHEMBL457722 0.78 NTRK1 (0.41) NTRK1DPP4NPY5RF2R
SCHEMBL457724 0.78 NTRK1 (0.41) NTRK1DPP4NPY5RF2R
SCHEMBL470735 0.77 NTRK1 (0.42) NTRK1DPP4NPY5RF2R
SCHEMBL14730347 0.77 NTRK1 (0.36) NTRK1DPP4NPY5RF2R
SCHEMBL12064789 0.75 NTRK1 (0.40) NTRK1DPP4NPY5RF2R
SCHEMBL470570 0.75 NTRK1 (0.43) NTRK1DPP4NPY5RF2R
SCHEMBL458712 0.75 NTRK1 (0.41) USP30NTRK1DPP4NPY5RF2R
SCHEMBL610961 0.75 NTRK1 (0.41) USP30NTRK1DPP4NPY5RF2R
SCHEMBL14723500 0.74 NTRK1 (0.42) NTRK1DPP4NPY5RF2R
SCHEMBL14730294 0.74 NTRK1 (0.42) NTRK1DPP4NPY5RF2R

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed