SCHEMBL6954026

SCHEMBL6954026

O=C(O)ON1CCC(c2ccccc2)C(O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.51
HTT P42858 1/20 0.48
SLC6A3 Q01959 5/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL6953373 0.88 MEN1 (0.41) SLC18A3HTTSLC6A3SLC6A2SLC6A4
SCHEMBL6960338 0.87 MEN1 (0.43) HTTSLC6A3SLC6A2SLC6A4MEN1
SCHEMBL6959529 0.87 KMT2A (0.40) SLC18A3HTTSLC6A3SLC6A2SLC6A4
SCHEMBL6952186 0.87 SLC6A3 (0.40) SLC18A3HTTSLC6A3SLC6A2SLC6A4
SCHEMBL6952881 0.85 MEN1 (0.42) SLC18A3HTTMEN1KMT2ACHRM2
SCHEMBL6951299 0.85 NPC1 (0.50) HTTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL6947646 0.85 MEN1 (0.42) SLC18A3HTTMEN1KMT2ANPC1
SCHEMBL6955374 0.85 MEN1 (0.41) SLC18A3HTTMEN1KMT2AHRH3
SCHEMBL6951786 0.83 KMT2A (0.41) SLC18A3HTTMEN1KMT2ANPC1
SCHEMBL6954704 0.83 MEN1 (0.41) SLC18A3HTTMEN1KMT2ANPC1

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