SCHEMBL8254100

SCHEMBL8254100

COCCCCC1(CNC=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.53
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL4668280 0.79 REN (0.48) REN
SCHEMBL4669289 0.74 REN (0.44) RENTSHR
SCHEMBL4667732 0.73 REN (0.48) RENTSHRL3MBTL1KDM4E
SCHEMBL8254744 0.71 REN (0.76) RENTSHRL3MBTL1
SCHEMBL13131482 0.70 REN (0.72) REN
SCHEMBL4835867 0.70 REN (1.00) RENTSHR
SCHEMBL4669242 0.70 REN (0.46) RENTSHRL3MBTL1KDM4E
SCHEMBL8253747 0.69 REN (0.72) RENTSHRMAPK1KDM4E
SCHEMBL8256616 0.69 REN (0.72) RENTSHRL3MBTL1
SCHEMBL8254479 0.69 REN (0.72) RENTSHRL3MBTL1

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-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed