SCHEMBL8254115

SCHEMBL8254115

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(N)=O)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.57
NAMPT P43490 1/20 0.35
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 3/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
STS P08842 1/20 0.32
TACR1 P25103 1/20 0.32
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31
GABRA5 P31644 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL4669434 0.93 REN (0.57) RENNAMPTPDE4BMAPTUSP30
SCHEMBL4912890 0.93 REN (0.57) RENNAMPTPDE4BMAPTKDM1A
SCHEMBL4912885 0.93 REN (0.57) RENNAMPTPDE4BMAPTKDM1A
SCHEMBL4669437 0.93 REN (0.57) RENNAMPTPDE4BMAPTUSP30
SCHEMBL4667631 0.93 REN (0.57) RENNAMPTPDE4BMAPTUSP30
SCHEMBL4670533 0.93 REN (0.57) RENNAMPTPDE4BMAPTKDM1A
SCHEMBL14089231 0.91 REN (0.55) RENKCNH2SCN5ASCN9ASTS
SCHEMBL4909887 0.91 REN (0.55) RENNAMPTMAPTUSP30KDM4E
SCHEMBL4916218 0.91 REN (0.55) RENKCNH2SCN5ASCN9ASTS
SCHEMBL4909883 0.91 REN (0.55) RENNAMPTMAPTUSP30KDM4E

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