SCHEMBL7073953

SCHEMBL7073953

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3cnc(-c4ccccc4)s3)cc2)c(OC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
F2RL3 Q96RI0 1/20 0.34
SSTR5 P35346 3/20 0.34
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
PRMT5 O14744 1/20 0.32
YAP1 P46937 2/20 0.32
TSHR P16473 2/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL7084998 0.90 REN (0.42) RENSSTR5PDCD1CD274PRMT5
SCHEMBL6041418 0.88 REN (0.45) RENHCRTR1HCRTR2F2RL3SSTR5
SCHEMBL7076956 0.88 REN (0.41) RENSMN1; SMN2
SCHEMBL7079908 0.86 REN (0.52) RENSSTR5PDE4B
SCHEMBL7076766 0.86 REN (0.54) RENSSTR5PDE4B
SCHEMBL7079331 0.85 REN (0.46) RENSSTR5PDE4B
SCHEMBL7082883 0.85 REN (0.46) RENSSTR5YAP1PDE4B
SCHEMBL7084145 0.85 REN (0.49) RENSSTR5S1PR1PDE4B
SCHEMBL7079511 0.85 REN (0.54) RENPDE4B
SCHEMBL7077001 0.84 REN (0.45) RENPDCD1CD274

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