SCHEMBL7077892

SCHEMBL7077892

COc1ccccc1COC1CN(OC(=O)OC(C)(C)C)CCC1c1ccc(OCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.42
PDE4B Q07343 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
TACR1 P25103 1/20 0.35
NR1H2 P55055 1/20 0.35
CACNA1B Q00975 1/20 0.34

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
SCHEMBL7080947 0.90 REN (0.45) RENPDE4BKDM1AMAOAMAOB
SCHEMBL7076588 0.89 REN (0.44) RENKDM1AMAOAMAOBTACR1
SCHEMBL7083194 0.89 REN (0.47) RENPDE4BNR1H2
SCHEMBL7079844 0.87 REN (0.51) RENKDM1AMAOAMAOB
SCHEMBL7081735 0.85 REN (0.63) REN
SCHEMBL7078693 0.84 REN (0.49) REN
SCHEMBL4602561 0.84 REN (0.44) RENPDE4B
SCHEMBL6953620 0.84 REN (0.44) RENPDE4B
SCHEMBL6041963 0.83 REN (0.45) RENKDM1AMAOAMAOBTACR1
SCHEMBL6952773 0.83 REN (0.55) 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 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