SCHEMBL4582802

SCHEMBL4582802

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(O)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
MKNK2 Q9HBH9 2/20 0.32
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM5 P41594 1/20 0.30
TSHR P16473 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD1 P21728 1/20 0.30
HRH2 P25021 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL3272138 1.00 REN (0.35) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL4592680 0.95 REN (0.35) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL2340320 0.95 REN (0.35) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL4592921 0.95 REN (0.34) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL2338242 0.95 BMP1 (0.35) RENPDE4BGRM5BMP1
SCHEMBL2334830 0.95 REN (0.34) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL4592794 0.95 REN (0.34) RENMKNK2TMEM97SIGMAR1PDE4B
SCHEMBL1037839 0.94 REN (0.36) RENMKNK2GRM5HRH2HRH1
SCHEMBL3268517 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4BGRM5
SCHEMBL2341326 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed