SCHEMBL7080702

SCHEMBL7080702

COc1cccc(C(=O)OCCCc2ccc(C3CCN(OC(=O)OC(C)(C)C)CC3OCc3ccc4ccccc4c3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.56
MCHR1 Q99705 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL7083333 0.96 REN (0.57) RENMCHR1NPSR1
SCHEMBL7079275 0.93 REN (0.54) REN
SCHEMBL7080099 0.92 REN (0.66) RENMCHR1
SCHEMBL7080945 0.88 REN (0.55) REN
SCHEMBL7080655 0.87 REN (0.46) REN
SCHEMBL7076058 0.86 REN (0.57) REN
SCHEMBL6041693 0.86 REN (0.59) RENMCHR1NPSR1MEN1KMT2A
SCHEMBL7078202 0.86 REN (0.59) REN
SCHEMBL7080951 0.86 REN (0.57) RENMCHR1
SCHEMBL7075865 0.86 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