SCHEMBL4753692

SCHEMBL4753692

CNC(CCOCCNC(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
REN P00797 8/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.41
SLC6A4 P31645 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 1/20 0.39
CASR P41180 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4754003 0.89 SLC6A4 (0.44) HTTTSHRMAPK1MEN1MAPT
SCHEMBL4756964 0.89 REN (0.41) HTTTSHRMAPK1MEN1MAPT
SCHEMBL4754375 0.89 HTT (0.43) HTTTSHRMAPK1MEN1MAPT
SCHEMBL4757031 0.88 EPHX2 (0.41) HTTTSHRMAPK1MEN1MAPT
SCHEMBL4753686 0.81 PYGL (0.37) HTTTSHRMAPK1MEN1MAPT
SCHEMBL4755350 0.78 SLC6A4 (0.40) HTTTSHRMAPK1MEN1MAPT
SCHEMBL498922 0.77 SLC6A4 (0.52) HTTTSHRMAPK1MEN1MAPT
SCHEMBL499203 0.77 SLC6A4 (0.52) HTTTSHRMAPK1MEN1MAPT
SCHEMBL499080 0.73 REN (0.48) HTTTSHRMAPK1MEN1MAPT
SCHEMBL499694 0.73 REN (0.48) HTTTSHRMAPK1MEN1MAPT

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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed