SCHEMBL6048162

SCHEMBL6048162

OCCCCc1nc2ncccc2o1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.47
DAGLA Q9Y4D2 13/20 0.47
CES1 P23141 4/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3967780 0.83 FAAH (0.58) FAAHDAGLACES1
SCHEMBL13662362 0.83 FAAH (0.58) FAAHDAGLACES1
SCHEMBL5605374 0.80 FAAH (0.41) FAAHDAGLACES1NPC1RAB9A
SCHEMBL6920576 0.79 NPC1 (0.44) FAAHDAGLACES1NPC1RAB9A
SCHEMBL6208195 0.77 DAGLA (0.40) FAAHDAGLACES1NPC1RAB9A
SCHEMBL3968583 0.76 FAAH (0.63) FAAHDAGLACES1
SCHEMBL13662364 0.76 FAAH (0.63) FAAHDAGLACES1
SCHEMBL4718852 0.76 FAAH (0.41) FAAHDAGLACES1NPC1RAB9A
SCHEMBL4718848 0.76 FAAH (0.41) FAAHDAGLACES1NPC1RAB9A
SCHEMBL5703655 0.76 MAPT (0.70) FAAHDAGLACES1NPC1RAB9A

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-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed