SCHEMBL7080187

SCHEMBL7080187

CC(C)(C)OC(=O)ON1CCC(C2CCCCC2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.41
REN P00797 3/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
POLB P06746 1/20 0.36
KCNH2 Q12809 2/20 0.36
PPIA P62937 1/20 0.36

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
SCHEMBL27487151 0.92 CHRM3 (0.42) CHRM3RENAXLMERTKSLC6A2
SCHEMBL28740372 0.85 CHRM3 (0.38) CHRM3RENAXLMERTKSLC6A2
SCHEMBL7082058 0.85 REN (0.48) REN
SCHEMBL7083199 0.85 REN (0.46) REN
SCHEMBL7078212 0.83 REN (0.47) REN
SCHEMBL7080440 0.83 REN (0.46) REN
SCHEMBL7079280 0.83 REN (0.46) REN
SCHEMBL7075608 0.83 REN (0.48) REN
SCHEMBL7079254 0.82 REN (0.47) REN
SCHEMBL7084523 0.82 REN (0.53) 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