SCHEMBL21769571

SCHEMBL21769571

Cc1cc(F)cc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 13/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ SLC6A5 Q9Y345 4/20 0.35
▸ MAPT P10636 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL21769885 0.93 POLB (0.37) MAPT
SCHEMBL3892309 0.91 NPC1 (0.37) NCOA3MAPT
SCHEMBL2239362 0.89 HDAC1 (0.38) SLC6A9NCOA3SLC6A5
SCHEMBL21769740 0.88 L3MBTL1 (0.33) SLC6A9SLC6A5MAPT
SCHEMBL17923453 0.88 MAPT (0.35) MAPT
SCHEMBL21769874 0.86 MAPT (0.38) MAPT
SCHEMBL6011885 0.86 NCOA3 (0.31) SLC6A9NCOA3MAPTIDO1
SCHEMBL21769850 0.86 HCRTR1 (0.35) SLC6A9MAPT
SCHEMBL21769853 0.86 POLB (0.38) MAPT
SCHEMBL21769566 0.85 KMT2A (0.37) MAPT

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
WO-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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