SCHEMBL4603776

SCHEMBL4603776

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

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.69
CYP3A4 P08684 4/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL6958042 1.00 REN (0.69) RENCYP3A4ACHE
SCHEMBL6959452 0.91 REN (0.65) REN
SCHEMBL4603206 0.91 REN (0.70) RENCYP3A4ACHE
SCHEMBL5561550 0.91 REN (0.70) RENCYP3A4ACHE
SCHEMBL6043442 0.87 REN (0.74) RENCYP3A4
SCHEMBL6952773 0.86 REN (0.55) REN
SCHEMBL7085119 0.85 REN (0.58) REN
SCHEMBL6948724 0.85 REN (0.66) REN
SCHEMBL4603519 0.85 REN (0.66) REN
SCHEMBL6949184 0.85 REN (0.67) REN

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 1 patent. 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