SCHEMBL8153290

SCHEMBL8153290

C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.78
GAA P10253 1/20 0.70
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRK1 P41145 1/20 0.52
AOC3 Q16853 1/20 0.51
NPY2R P49146 1/20 0.49

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
SCHEMBL1394938 0.90 NPY5R (0.73) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL1394939 0.90 NPY5R (0.73) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL2645649 0.88 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL1107401 0.88 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL1859971 0.87 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL27522050 0.87 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1OPRK1
SCHEMBL1859968 0.87 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1CYP3A4
SCHEMBL8728663 0.85 GAA (0.67) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL16147201 0.85 GAA (0.67) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL8728560 0.85 GAA (0.67) NPY5RGAAKDM4EALDH1A1AOC3

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-2008119734-A2 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO disclosed