SCHEMBL7714134

SCHEMBL7714134

O=C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N[C@H]1CCN(c2cccc3ccc(O)cc23)C1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.38
CCKBR P32239 2/20 0.33
XIAP P98170 3/20 0.32
HTR5A P47898 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
SCHEMBL7714138 1.00 SIRT2 (0.38) SIRT2CCKBRXIAPHTR5A
SCHEMBL7717495 0.85 SIRT2 (0.36) SIRT2CCKBR
SCHEMBL7717491 0.85 SIRT2 (0.36) SIRT2CCKBR
SCHEMBL7714044 0.78 SIRT2 (0.34) SIRT2
SCHEMBL7714045 0.78 SIRT2 (0.34) SIRT2
SCHEMBL7718980 0.72 SIRT2 (0.34) SIRT2
SCHEMBL7718984 0.72 SIRT2 (0.34) SIRT2
SCHEMBL7714104 0.70 SIRT2 (0.33) SIRT2
SCHEMBL7714107 0.70 SIRT2 (0.33) SIRT2
SCHEMBL27154343 0.69 HDAC1 (0.38) SIRT2

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed