SCHEMBL7080459

SCHEMBL7080459

COCCOc1c(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3cc(-c4ccccc4)no3)cc2)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
REN P00797 4/20 0.34
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.32
ADAM17 P78536 2/20 0.32
GALR3 O60755 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7082067 0.94 RAB9A (0.39) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL6042525 0.88 RAB9A (0.39) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7079873 0.86 REN (0.46) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7076956 0.86 REN (0.41) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7080086 0.85 REN (0.31) REN
SCHEMBL7076917 0.84 REN (0.33) REN
SCHEMBL7079374 0.83 MAPT (0.41) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7080839 0.83 PDCD1 (0.38) RENADAM17
SCHEMBL6041811 0.82 RAB9A (0.42) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL6958396 0.81 RAB9A (0.45) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2

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