SCHEMBL6950872

SCHEMBL6950872

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
RORC P51449 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TACR1 P25103 1/20 0.39
RIPK1 Q13546 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4602631 0.89 MEN1 (0.39) HTTSLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL5562101 0.89 MEN1 (0.39) HTTSLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL6949144 0.89 GPR119 (0.39) HTTKDM1AGPR119MEN1KMT2A
SCHEMBL7074937 0.88 MEN1 (0.41) HTTRORCKDM1AGPR119MEN1
SCHEMBL6958285 0.88
SCHEMBL6954303 0.88 MEN1 (0.38) HTTSLC6A2SLC6A4SLC6A3RORC
SCHEMBL6947706 0.88 MEN1 (0.38) SLC6A4SLC6A3RORCKDM1ATACR1
SCHEMBL6951315 0.87 PDE4B (0.41) HTTGPR119MEN1KMT2AHRH3
SCHEMBL6959509 0.87 NPC1 (0.44) KDM1AMAOBHRH3
SCHEMBL6954512 0.87 PDE4B (0.43) HTTKDM1AGPR119MEN1KMT2A

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