SCHEMBL4582987

SCHEMBL4582987

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)OCc3ccccc3)C[C@H]2OC[C@H]2CO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.37
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
GRM5 P41594 1/20 0.33
FFAR1 O14842 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE4B Q07343 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL1039332 0.95 MMP9 (0.35) RENTMEM97SIGMAR1PDE4B
SCHEMBL3908978 0.95 MMP9 (0.35) RENTMEM97SIGMAR1PDE4B
SCHEMBL4582363 0.93 REN (0.35) RENTMEM97SIGMAR1PDE4BKLK7
SCHEMBL3907512 0.92 REN (0.38) RENCYSLTR2CYSLTR1GRM5TMEM97
SCHEMBL1036379 0.92 REN (0.39) RENCYSLTR2CYSLTR1GRM5TMEM97
SCHEMBL3902388 0.91 REN (0.36) RENCYSLTR2CYSLTR1GRM5FFAR1
SCHEMBL3905577 0.90 REN (0.40) RENCYSLTR2CYSLTR1GRM5TMEM97
SCHEMBL3914858 0.90 REN (0.36) RENCYSLTR2CYSLTR1GRM5FFAR1
SCHEMBL3902352 0.90 REN (0.36) RENCYSLTR2CYSLTR1GRM5FFAR1
SCHEMBL2343571 0.89 MMP9 (0.37) RENPDE4B

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