SCHEMBL6951900

SCHEMBL6951900

C/[S+]=C(\N)C1CCN(C(=O)OC(C)(C)C)CC1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
GPR119 Q8TDV5 7/20 0.43
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 1/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL6951903 1.00 RECQL (0.43) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL21797068 0.83 HPGD (0.43) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL18399262 0.83 HPGD (0.43) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL25343328 0.81 HPGD (0.47) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL25289080 0.81 HPGD (0.47) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL23692790 0.81 HPGD (0.47) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL16961994 0.81 HPGD (0.47) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL8114809 0.81 HPGD (0.47) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL24969958 0.78 HPGD (0.51) RECQLGPR119HPGDUSP2SMN1; SMN2
SCHEMBL16661889 0.78 HPGD (0.51) RECQLGPR119HPGDUSP2SMN1; 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