SCHEMBL2727474

SCHEMBL2727474

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
BACE2 Q9Y5Z0 1/20 0.44
TRPV1 Q8NER1 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
USP30 Q70CQ3 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
SCD O00767 3/20 0.32
SCD5 Q86SK9 3/20 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
SCHEMBL2727473 1.00 BACE1 (0.48) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL6465415 1.00 BACE1 (0.48) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2726505 0.93 BACE1 (0.41) BACE1BACE2TRPV1CPT1AHCRTR1
SCHEMBL2726507 0.93 BACE1 (0.41) BACE1BACE2TRPV1CPT1AHCRTR1
SCHEMBL2726509 0.93 BACE1 (0.41) BACE1BACE2TRPV1CPT1AHCRTR1
SCHEMBL2725547 0.92 BACE1 (0.39) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2728158 0.90 BACE1 (0.60) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2728157 0.90 BACE1 (0.60) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL2728160 0.90 BACE1 (0.60) BACE1BACE2TRPV1CPT2CPT1A
SCHEMBL6468229 0.89 BACE1 (0.37) 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 2 patents. 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 claimed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed