SCHEMBL2733844

SCHEMBL2733844

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc(N(C(=O)O)C(C)Cc4ccccc4)o3)cc(N(C)S(C)(=O)=O)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.33
SCD O00767 4/20 0.33
BACE1 P56817 5/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CPS1 P31327 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL6468829 0.89 SCD5 (0.34) SCD5SCDBACE1CPT2CPT1A
SCHEMBL2727474 0.83 BACE1 (0.48) SCD5SCDBACE1CPT2CPT1A
SCHEMBL6465415 0.83 BACE1 (0.48) SCD5SCDBACE1CPT2CPT1A
SCHEMBL2727473 0.83 BACE1 (0.48) SCD5SCDBACE1CPT2CPT1A
SCHEMBL2725547 0.81 BACE1 (0.39) SCD5SCDBACE1CPT2CPT1A
SCHEMBL2734099 0.81 TRPV1 (0.34) CPT2CPT1ATRPV1CPS1HCRTR1
SCHEMBL6468229 0.79 BACE1 (0.37) BACE1CPT2CPT1ACPT1BTRPV1
SCHEMBL6466217 0.78 BACE1 (0.36) BACE1CPT2CPT1ACPT1BTRPV1
SCHEMBL2728770 0.78 BACE1 (0.36) BACE1CPT2CPT1ACPT1BTRPV1
SCHEMBL2731978 0.76 TRPV1 (0.34) BACE1CPT2CPT1ACPT1BTRPV1

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