SCHEMBL6960686

SCHEMBL6960686

CC(C)(C)OC(=O)ON1CCC(c2ccc(F)cc2)C(OCc2ccc3occc3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAOB P27338 2/20 0.33
REN P00797 3/20 0.33
LIPG Q9Y5X9 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GYS1 P13807 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TACR1 P25103 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL7078323 0.86 REN (0.45) MCHR1REN
SCHEMBL6958090 0.84 HCRTR1 (0.35) KCNH2MCHR2MCHR1BACE1BACE2
SCHEMBL6959615 0.83 KDM4E (0.40) ALDH1A1MAPTHTT
SCHEMBL7076957 0.83 MC4R (0.36) MAOBRENLIPGTACR1
SCHEMBL6956556 0.83 REN (0.39) BACE1BACE2REN
SCHEMBL6949602 0.83 GPR119 (0.39) KCNH2BACE1BACE2MAOBLIPG
SCHEMBL6957468 0.82 MC4R (0.37) RENLIPGTACR1
SCHEMBL6043008 0.82 KCNH2 (0.38) KCNH2MCHR2MCHR1MAOBREN
SCHEMBL6952166 0.82 REN (0.41) MCHR1MAOBREN
SCHEMBL6955914 0.80 GPR119 (0.43)

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