SCHEMBL457723

SCHEMBL457723

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.34
IDO1 P14902 1/20 0.34
RORC P51449 3/20 0.33
BDKRB1 P46663 1/20 0.32
JAK2 O60674 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CDK9 P50750 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
DPP4 P27487 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
SCHEMBL459944 0.90 NTRK1 (0.34) NTRK1IDO1RORCBDKRB1JAK2
SCHEMBL459071 0.88 NTRK1 (0.33) NTRK1IDO1RORCBDKRB1MEN1
SCHEMBL457491 0.84 ITGB3 (0.34) NTRK1RORC
SCHEMBL460033 0.80 RET (0.33) NTRK1RORCJAK2
SCHEMBL14722673 0.78 GPR119 (0.39)
SCHEMBL459878 0.77 HCAR2 (0.32) NTRK1JAK2
SCHEMBL463438 0.76 HTR2A (0.35) MEN1KMT2A
SCHEMBL459362 0.75
SCHEMBL457509 0.75 NTRK1 (0.33) NTRK1JAK2MEN1KMT2AATM
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