SCHEMBL7717533

SCHEMBL7717533

CC(C)(C)[Si](Oc1ccc2c(c1)[C@H](N1CC[C@@H](N)C1=O)CC2)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.35
ACHE P22303 5/20 0.35
MTNR1A P48039 5/20 0.34
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 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
SCHEMBL7717534 1.00 MTNR1B (0.35) MTNR1BACHEMTNR1AKDM4EKMT2A
SCHEMBL7717555 0.82 SCN9A (0.38) MTNR1BMTNR1A
SCHEMBL7719303 0.82 SCN9A (0.38) MTNR1BMTNR1A
SCHEMBL7263724 0.81 ACHE (0.48) ACHE
SCHEMBL7715098 0.81 ACHE (0.48) ACHE
SCHEMBL7718518 0.78 MTNR1B (0.36) MTNR1BKMT2A
SCHEMBL7721427 0.78 MTNR1B (0.36) MTNR1BKMT2A
SCHEMBL7709306 0.78 MTNR1B (0.36) MTNR1BKMT2A
SCHEMBL7259713 0.74 HCRTR1 (0.39) ACHE
SCHEMBL7715113 0.74 HCRTR1 (0.39) ACHE

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