SCHEMBL6468829

SCHEMBL6468829

Cc1csc(C2CCCN2C(=O)c2cc(-c3nnc(C(C)Cc4ccccc4)o3)cc(N(C)S(C)(=O)=O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.34
SCD O00767 5/20 0.34
BACE1 P56817 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CPS1 P31327 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 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
SCHEMBL6466217 0.89 BACE1 (0.36) BACE1TRPV1CPT2CPT1ACPT1B
SCHEMBL2728770 0.89 BACE1 (0.36) BACE1TRPV1CPT2CPT1ACPT1B
SCHEMBL2733844 0.89 SCD5 (0.33) SCD5SCDBACE1TRPV1CPT2
SCHEMBL10290120 0.86 SCD5 (0.40) SCD5SCDTRPV1CPT1AHCRTR1
SCHEMBL2727473 0.85 BACE1 (0.48) SCD5SCDBACE1TRPV1CPT2
SCHEMBL6465415 0.85 BACE1 (0.48) SCD5SCDBACE1TRPV1CPT2
SCHEMBL2727474 0.85 BACE1 (0.48) SCD5SCDBACE1TRPV1CPT2
SCHEMBL2725547 0.84 BACE1 (0.39) SCD5SCDBACE1TRPV1CPT2
SCHEMBL6468514 0.83 TRPV1 (0.34) TRPV1CPT2CPT1ACPT1BCPS1
SCHEMBL6465986 0.83 TRPV1 (0.35) SCD5SCDTRPV1CPT2CPT1A

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