SCHEMBL459944

SCHEMBL459944

CC(C)(C)OC(=O)N[C@@]1(c2ncc(C=O)cn2)CNC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
JAK2 O60674 3/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
RORC P51449 4/20 0.32
BDKRB1 P46663 1/20 0.32
IDO1 P14902 1/20 0.32
CDK9 P50750 1/20 0.31
CTSD P07339 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
SCHEMBL457723 0.90 NTRK1 (0.34) NTRK1DPP8DPP9JAK2RORC
SCHEMBL459071 0.86 NTRK1 (0.33) NTRK1RORCBDKRB1IDO1
SCHEMBL457491 0.84 ITGB3 (0.34) NTRK1RORC
SCHEMBL460033 0.80 RET (0.33) NTRK1JAK2RORC
SCHEMBL14722673 0.77 GPR119 (0.39)
SCHEMBL463438 0.76 HTR2A (0.35)
SCHEMBL459878 0.76 HCAR2 (0.32) NTRK1JAK2
SCHEMBL459362 0.75
SCHEMBL457509 0.75 NTRK1 (0.33) NTRK1JAK2
SCHEMBL458010 0.74 ITGB3 (0.34)

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