SCHEMBL6958384

SCHEMBL6958384

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCCOCc3cccs3)cc2)C(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4B Q07343 1/20 0.33
GPR119 Q8TDV5 5/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
REN P00797 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
LTA4H P09960 2/20 0.32
EPHX2 P34913 1/20 0.32
S1PR1 P21453 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
SCHEMBL6960040 0.88 LTA4H (0.36) MEN1KMT2ATP53NPC1ALDH1A1
SCHEMBL6955072 0.86 KDM4E (0.42) PDE4BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6954512 0.86 PDE4B (0.43) MEN1KMT2APDE4BGPR119NPC1
SCHEMBL7452845 0.86 MEN1 (0.35) MEN1KMT2APDE4BGPR119HRH3
SCHEMBL6960306 0.84 REN (0.35) GPR119RENLTA4HEPHX2
SCHEMBL6951315 0.84 PDE4B (0.41) MEN1KMT2APDE4BGPR119ALDH1A1
SCHEMBL7074937 0.83 MEN1 (0.41) MEN1KMT2APDE4BGPR119NPC1
SCHEMBL6953620 0.83 REN (0.44) PDE4BREN
SCHEMBL4602561 0.83 REN (0.44) PDE4BREN
SCHEMBL7079705 0.82 REN (0.42) 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