SCHEMBL7081328

SCHEMBL7081328

COc1ccccc1C(=O)OCCc1ccc(C2CCN(OC(=O)OC(C)(C)C)CC2OCc2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.45
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL7075865 0.94 REN (0.45) RENGPBAR1
SCHEMBL7084284 0.93 REN (0.44) REN
SCHEMBL7079649 0.91 REN (0.47) RENGPBAR1
SCHEMBL7080945 0.90 REN (0.55) REN
SCHEMBL7083333 0.89 REN (0.57) REN
SCHEMBL7078319 0.87 REN (0.44) REN
SCHEMBL7080615 0.87 REN (0.45) RENGPBAR1
SCHEMBL7078447 0.87 REN (0.45) REN
SCHEMBL7080655 0.86 REN (0.46) RENCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7082623 0.86 REN (0.46) RENGPBAR1

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed