SCHEMBL7718980

SCHEMBL7718980

CC(C)(C)[Si](Oc1ccc2cccc(N3CC[C@H](NCCc4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)C3=O)c2c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.34
ROCK2 O75116 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 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
SCHEMBL7718984 1.00 SIRT2 (0.34) SIRT2ROCK2GRM5GRM1
SCHEMBL7717495 0.88 SIRT2 (0.36) SIRT2GRM5GRM1
SCHEMBL7717491 0.88 SIRT2 (0.36) SIRT2GRM5GRM1
SCHEMBL7714044 0.87 SIRT2 (0.34) SIRT2
SCHEMBL7714045 0.87 SIRT2 (0.34) SIRT2
SCHEMBL7717539 0.82 SIRT2 (0.35) SIRT2
SCHEMBL7717537 0.82 SIRT2 (0.35) SIRT2
SCHEMBL7169453 0.82 SIRT2 (0.34) SIRT2
SCHEMBL7714104 0.81 SIRT2 (0.33) SIRT2
SCHEMBL7714107 0.81 SIRT2 (0.33) 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