SCHEMBL6466217

SCHEMBL6466217

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.36
CPT1A P50416 3/20 0.34
TRPV1 Q8NER1 2/20 0.34
CPT2 P23786 2/20 0.34
CPT1B Q92523 1/20 0.34
CPS1 P31327 1/20 0.33
AADAT Q8N5Z0 3/20 0.32
PKM P14618 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
SCHEMBL2728770 1.00 BACE1 (0.36) BACE1CPT1ATRPV1CPT2CPT1B
SCHEMBL6468514 0.94 TRPV1 (0.34) CPT1ATRPV1CPT2CPT1BCPS1
SCHEMBL6468793 0.92 TRPV1 (0.35) CPT1ATRPV1CPT2CPT1BCPS1
SCHEMBL6466357 0.90 TRPV1 (0.38) CPT1ATRPV1CPT2CPT1BAADAT
SCHEMBL6468829 0.89 SCD5 (0.34) BACE1CPT1ATRPV1CPT2CPT1B
SCHEMBL6468856 0.89 BACE1 (0.34) BACE1CPT1ATRPV1CPT2CPT1B
SCHEMBL6468329 0.88 TRPV1 (0.35) CPT1ATRPV1CPT2CPT1BCPS1
SCHEMBL2725976 0.88 TRPV1 (0.36) CPT1ATRPV1CPT2CPT1BAADAT
SCHEMBL6465338 0.88 TRPV1 (0.36) CPT1ATRPV1CPT2CPT1BAADAT
SCHEMBL2727050 0.88 TRPV1 (0.36) CPT1ATRPV1CPT2CPT1BAADAT

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