SCHEMBL6947646

SCHEMBL6947646

O=C(O)ON1CCC(c2ccc(OCCCOc3ccccc3)cc2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM1A O60341 5/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
HPGD P15428 2/20 0.39
SLC18A3 Q16572 1/20 0.39
PPARD Q03181 1/20 0.38
LTA4H P09960 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6952881 0.98 MEN1 (0.42) MEN1KMT2AS1PR1HTTKDM4E
SCHEMBL6951052 0.92 KDM4E (0.44) KMT2AS1PR1HTTKDM4ESMN1; SMN2
SCHEMBL6958492 0.90 S1PR1 (0.48) S1PR1HTTKDM4EALDH1A1KDM1A
SCHEMBL6951786 0.89 KMT2A (0.41) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL6954704 0.89 MEN1 (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL6951299 0.88 NPC1 (0.50) HTTKDM4ESMN1; SMN2ALDH1A1KDM1A
SCHEMBL6959905 0.87 S1PR1 (0.39) MEN1KMT2AS1PR1HTTKDM4E
SCHEMBL6954512 0.86 PDE4B (0.43) MEN1KMT2AS1PR1HTTKDM4E
SCHEMBL7079662 0.86 REN (0.42) MEN1KMT2AS1PR1KDM4ESMN1; SMN2
SCHEMBL6955507 0.86 REN (0.47)

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