SCHEMBL6951206

SCHEMBL6951206

CC(C)(C)OC(=O)ON1CCC(c2ccc(CO)cc2)C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.34
TACR1 P25103 1/20 0.33
RORC P51449 1/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PDE4B Q07343 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL7080691 0.91 MEN1 (0.38) MEN1KMT2AHTTKDM1ATACR1
SCHEMBL5562101 0.87 MEN1 (0.39) MEN1KMT2AHTTKDM1ARORC
SCHEMBL4602631 0.87 MEN1 (0.39) MEN1KMT2AHTTKDM1ARORC
SCHEMBL6949144 0.87 GPR119 (0.39) MEN1KMT2AGPR119HTTKDM1A
SCHEMBL6954303 0.86 MEN1 (0.38) MEN1KMT2AHTTKDM1ARORC
SCHEMBL6947706 0.86 MEN1 (0.38) MEN1KMT2AKDM1ATACR1RORC
SCHEMBL6958285 0.86
SCHEMBL6950872 0.86 HTT (0.45) MEN1KMT2AGPR119HTTKDM1A
SCHEMBL7080534 0.84 HRH3 (0.42) MEN1KMT2AHRH3
SCHEMBL6960005 0.83 MEN1 (0.39) MEN1KMT2AHTTKDM1A

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