SCHEMBL6467062

SCHEMBL6467062

Cc1csc(C2CCCN2C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)nc(N(C)S(C)(=O)=O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.45
BACE2 Q9Y5Z0 1/20 0.42
TRPV1 Q8NER1 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
USP30 Q70CQ3 1/20 0.33
AADAT Q8N5Z0 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
SCHEMBL2726761 1.00 BACE1 (0.45) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2726759 1.00 BACE1 (0.45) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2725447 0.92 BACE1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2725449 0.92 BACE1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL6466212 0.92 BACE1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2725028 0.92 BACE1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL6468850 0.90 TRPV1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2727020 0.90 TRPV1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2727018 0.90 TRPV1 (0.37) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2728158 0.89 BACE1 (0.60) BACE1BACE2TRPV1CPT2CPT1A

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