SCHEMBL7717495

SCHEMBL7717495

CC(C)(C)[Si](Oc1ccc2cccc(N3CCC(NC(=O)Cc4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)C3=O)c2c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.36
NMBR P28336 1/20 0.31
CCKBR P32239 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL7717491 1.00 SIRT2 (0.36) SIRT2NMBRCCKBRKDM4EALDH1A1
SCHEMBL7714045 0.93 SIRT2 (0.34) SIRT2
SCHEMBL7714044 0.93 SIRT2 (0.34) SIRT2
SCHEMBL7718980 0.88 SIRT2 (0.34) SIRT2GRM5GRM1
SCHEMBL7718984 0.88 SIRT2 (0.34) SIRT2GRM5GRM1
SCHEMBL7714107 0.86 SIRT2 (0.33) SIRT2
SCHEMBL7714104 0.86 SIRT2 (0.33) SIRT2
SCHEMBL7714134 0.85 SIRT2 (0.38) SIRT2CCKBR
SCHEMBL7714138 0.85 SIRT2 (0.38) SIRT2CCKBR
SCHEMBL7717537 0.81 SIRT2 (0.35) 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