SCHEMBL6953373

SCHEMBL6953373

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC18A3 Q16572 1/20 0.40
HTT P42858 1/20 0.38
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL6954026 0.88 SLC18A3 (0.51) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL6952186 0.87 SLC6A3 (0.40) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL6960338 0.87 MEN1 (0.43) MEN1KMT2AHTTSLC6A2SLC6A4
SCHEMBL6959529 0.87 KMT2A (0.40) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL27454940 0.85 MEN1 (0.41) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL6955374 0.85 MEN1 (0.41) MEN1KMT2ASLC18A3HTT
SCHEMBL6951299 0.82 NPC1 (0.50) HTT
SCHEMBL4602631 0.82 MEN1 (0.39) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL5562101 0.82 MEN1 (0.39) MEN1KMT2ASLC18A3HTTSLC6A2
SCHEMBL6952629 0.80 MEN1 (0.35) MEN1KMT2ASLC18A3HTT

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