SCHEMBL8255158

SCHEMBL8255158

COCCCCC1(CNC(=O)[C@@H]2CNC[C@H](C(=O)NCCC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.71
TSHR P16473 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL8253747 0.90 REN (0.72) RENTSHRKMT2AMEN1NPC1
SCHEMBL8254744 0.89 REN (0.76) RENTSHRKMT2AMEN1NPC1
SCHEMBL4911876 0.87 REN (0.57) RENMAPTKDM4EHPGDALDH1A1
SCHEMBL8256616 0.87 REN (0.72) RENTSHR
SCHEMBL8254479 0.87 REN (0.72) RENTSHR
SCHEMBL8248077 0.85 REN (0.74) RENTSHRKMT2AMAPTHPGD
SCHEMBL4835867 0.83 REN (1.00) RENTSHRKMT2AMEN1NPC1
SCHEMBL4907824 0.80 REN (1.00) RENTSHRKMT2AMEN1MAPT
SCHEMBL4909883 0.79 REN (0.55) RENMAPTKDM4EHPGDALDH1A1
SCHEMBL4909887 0.79 REN (0.55) RENMAPTKDM4EHPGDALDH1A1

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