SCHEMBL459071

SCHEMBL459071

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.33
RORC P51449 3/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 1/20 0.32
NPY2R P49146 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSPB1 P04792 1/20 0.32
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BDKRB1 P46663 1/20 0.31
NR3C2 P08235 1/20 0.31
IDO1 P14902 1/20 0.31
PKM P14618 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 0.88 NTRK1 (0.34) NTRK1RORCMEN1KMT2ABDKRB1
SCHEMBL459944 0.86 NTRK1 (0.34) NTRK1RORCBDKRB1IDO1
SCHEMBL457491 0.81 ITGB3 (0.34) NTRK1RORC
SCHEMBL460033 0.77 RET (0.33) NTRK1RORC
SCHEMBL459878 0.76 HCAR2 (0.32) NTRK1
SCHEMBL14722673 0.76 GPR119 (0.39)
SCHEMBL463438 0.74 HTR2A (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL459362 0.73
SCHEMBL458010 0.72 ITGB3 (0.34)
SCHEMBL14722777 0.71 GPR119 (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