SCHEMBL4603206

SCHEMBL4603206

COc1ccccc1COCCCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OCc2ccc3c(c2)NCCC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.70
CYP3A4 P08684 3/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL5561550 1.00 REN (0.70) RENCYP3A4ACHE
SCHEMBL6043442 0.92 REN (0.74) RENCYP3A4
SCHEMBL4603776 0.91 REN (0.69) RENCYP3A4ACHE
SCHEMBL6958042 0.91 REN (0.69) RENCYP3A4ACHE
SCHEMBL5798925 0.89 REN (0.57) RENCYP3A4ACHE
SCHEMBL5798922 0.89 REN (0.57) RENCYP3A4ACHE
SCHEMBL5563338 0.88 REN (0.56) RENCYP3A4
SCHEMBL5562042 0.88 REN (0.54) RENACHE
SCHEMBL5561717 0.87 REN (0.53) REN
SCHEMBL5561276 0.87 REN (0.54) RENCYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979819-B1 Process for the production of substituted 3-hydroxypiperidines SPEEDEL PHARMA AG (CH) 2008-04-23 EP claimed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
EP-0979819-B1 Process for the production of substituted 3-hydroxypiperidines SPEEDEL PHARMA AG (CH) 2008-04-23 EP disclosed
EP-1180103-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
EP-1180103-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-20 EP disclosed
US-6274735-B1 RENIN INHIBITORS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
US-6197959-B1 CARDIOVASCULAR AND KIDNEY DISORDERS; RESTENOSIS, GLAUCOMA; HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
WO-2000064887-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 WO disclosed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed