SCHEMBL6468247

SCHEMBL6468247

CC[C@@H](NC)c1nc(C=O)cs1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3556404 0.80 MAPT (0.38) MAPTHTR2BALDH1A1
SCHEMBL1051061 0.73 MAPT (0.40) MAPTHTR2BALDH1A1
SCHEMBL2438716 0.73 MAPT (0.41) MAPTHTR2BALDH1A1
SCHEMBL9381730 0.72 MAPT (0.36) MAPTHTR2BALDH1A1
SCHEMBL9568876 0.70 HTR2B (0.40) MAPTHTR2BALDH1A1
SCHEMBL16742562 0.69 MAPT (0.45) MAPTHTR2BALDH1A1
SCHEMBL10771875 0.66
SCHEMBL10465533 0.66 MAPT (0.45) MAPTHTR2BALDH1A1
SCHEMBL13999711 0.66 MAPT (0.39) MAPTHTR2BALDH1A1
SCHEMBL20130304 0.66 HTR2B (0.35) MAPTHTR2BALDH1A1

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed