SCHEMBL6466657

SCHEMBL6466657

COc1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(C(=O)N2CCCC2c2nc(C)cs2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.39
SCD O00767 4/20 0.39
BACE1 P56817 3/20 0.38
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
CPT1A P50416 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2725873 1.00 SCD5 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2725874 1.00 SCD5 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL10290176 1.00 SCD5 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2726988 0.91 SMN1; SMN2 (0.38) SCD5SCDHCRTR1HCRTR2TRPV1
SCHEMBL6468066 0.91 BACE1 (0.37) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2726485 0.89 BACE1 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2726490 0.89 BACE1 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2726488 0.89 BACE1 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL10290013 0.89 SCD5 (0.39) SCD5SCDBACE1HCRTR1HCRTR2
SCHEMBL2725377 0.89 SCD5 (0.39) SCD5SCDBACE1HCRTR1HCRTR2

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