SCHEMBL7079945

SCHEMBL7079945

COc1cc2ccccc2cc1COC1CN(OC(=O)OC(C)(C)C)CCC1c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CHRM3 P20309 2/20 0.35
PDE4B Q07343 5/20 0.34
REN P00797 2/20 0.34
CFTR P13569 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL27488912 0.92 DRD2 (0.37) DRD2DRD4CHRM3RENCFTR
SCHEMBL7076953 0.86 REN (0.31) CHRM3RENBACE1BACE2
SCHEMBL7078323 0.85 REN (0.45) REN
SCHEMBL7081100 0.85 PRMT5 (0.33) REN
SCHEMBL6950788 0.84 MEN1 (0.33) CHRM3MEN1KMT2A
SCHEMBL7079844 0.83 REN (0.51) RENMEN1KMT2A
SCHEMBL6952166 0.83 REN (0.41) RENMEN1KMT2A
SCHEMBL6042196 0.83 DRD2 (0.40) DRD2DRD4CHRM3PDE4BREN
SCHEMBL6959778 0.81 TACR1 (0.35) DRD2
SCHEMBL7077892 0.81 REN (0.42) PDE4BREN

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