SCHEMBL6959529

SCHEMBL6959529

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SLC6A3 Q01959 6/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
RORC P51449 1/20 0.38
HTT P42858 2/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL6953373 0.87 MEN1 (0.41) KMT2AMEN1SLC18A3SLC6A3SLC6A4
SCHEMBL6954026 0.87 SLC18A3 (0.51) KMT2AMEN1SLC18A3SLC6A3SLC6A4
SCHEMBL6960338 0.86 MEN1 (0.43) KMT2AMEN1SLC6A3SLC6A4SLC6A2
SCHEMBL6952186 0.86 SLC6A3 (0.40) KMT2AMEN1SLC18A3SLC6A3SLC6A4
SCHEMBL6955374 0.84 MEN1 (0.41) KMT2AMEN1SLC18A3HTTHRH3
SCHEMBL6954303 0.82 MEN1 (0.38) KMT2AMEN1SLC6A3SLC6A4SLC6A2
SCHEMBL6952629 0.79 MEN1 (0.35) KMT2AMEN1SLC18A3HTTHRH3
SCHEMBL6952881 0.79 MEN1 (0.42) KMT2AMEN1SLC18A3HTTKDM1A
SCHEMBL6947646 0.79 MEN1 (0.42) KMT2AMEN1SLC18A3HTTKDM1A
SCHEMBL6951299 0.79 NPC1 (0.50) HTTKDM1AMAOAMAOBHRH3

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