SCHEMBL459878

SCHEMBL459878

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.32
NTRK1 P04629 7/20 0.31
JAK2 O60674 2/20 0.31
KIF11 P52732 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL457509 0.89 NTRK1 (0.33) HCAR2NTRK1JAK2
SCHEMBL457441 0.88
SCHEMBL460321 0.84 BACE1 (0.32) NTRK1JAK2
SCHEMBL457723 0.77 NTRK1 (0.34) NTRK1JAK2
SCHEMBL459071 0.76 NTRK1 (0.33) NTRK1
SCHEMBL13858631 0.61 KDM1A (0.44) HCAR2NTRK1JAK2HTR2AHTR2C
SCHEMBL1721284 0.58 FPR1 (0.47) NTRK1JAK2
SCHEMBL18914461 0.57 TP53 (0.39) L3MBTL1HTR2AHTR2C
SCHEMBL18914441 0.56 CHRNB2 (0.39) HTR2AHTR2C
SCHEMBL5899779 0.56 KDM1A (0.44) HCAR2

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