SCHEMBL6956043

SCHEMBL6956043

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCCOCc3ccccc3)cc2)C(OCc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.47
S1PR1 P21453 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL6954144 0.93 REN (0.45) REN
SCHEMBL6956250 0.92 REN (0.47) REN
SCHEMBL7075548 0.91 REN (0.58) REN
SCHEMBL6951737 0.90 REN (0.47) RENS1PR1HTR2AKCNH2SIGMAR1
SCHEMBL7082632 0.90 REN (0.46) REN
SCHEMBL6956340 0.90 REN (0.41) REN
SCHEMBL7080739 0.90 REN (0.53) REN
SCHEMBL7079852 0.89 REN (0.58) REN
SCHEMBL6953120 0.89 REN (0.46) REN
SCHEMBL6947606 0.89 REN (0.45) REN

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 3 patents. 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed