SCHEMBL577677

SCHEMBL577677

COC(=O)C12CC1/C=C/CCCCNCN1CCCCC1CN2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 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
SCHEMBL577679 1.00 HTR6 (0.31) HTR6
SCHEMBL2012122 0.74 L3MBTL3 (0.31) HTR6
SCHEMBL2012120 0.74 L3MBTL3 (0.31) HTR6
SCHEMBL2012118 0.74 L3MBTL3 (0.31) HTR6
Hydrochloric Acid SCHEMBL29716176 0.73 L3MBTL3 (0.30) HTR6
SCHEMBL4400728 0.72 KDM4E (0.39) —
SCHEMBL6844970 0.63 CTSB (0.46) —
SCHEMBL13071410 0.62 ALOX15 (0.37) —
SCHEMBL4178230 0.60 — —
SCHEMBL7621022 0.60 HTR6 (0.38) HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 — — EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
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