SCHEMBL7081341

SCHEMBL7081341

CC(C)(C)OC(=O)ON1CCC(c2ccc(CCc3nc(-c4ccccc4)no3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.51
SMPD1 P17405 1/20 0.40
CHRM3 P20309 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
FFAR1 O14842 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7075025 0.94 REN (0.52) RENSMPD1CHRM3GPR119NPC1
SCHEMBL7079998 0.92 REN (0.62) RENGPR119FFAR1NPC1RAB9A
SCHEMBL7082065 0.87 REN (0.40) RENCHRM3FFAR1
SCHEMBL7082870 0.87 REN (0.40) RENNPC1RAB9AMAPT
SCHEMBL7078091 0.86 REN (0.64) RENGPR119FFAR1MAPT
SCHEMBL6041609 0.85 REN (0.56) RENSMPD1FFAR1NPC1RAB9A
SCHEMBL7082058 0.85 REN (0.48) REN
SCHEMBL7076344 0.84 REN (0.46) REN
SCHEMBL7076769 0.84 REN (0.45) REN
SCHEMBL7081646 0.84 REN (0.50) 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