SCHEMBL6468856

SCHEMBL6468856

COCCN(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@H](C)Cc3ccccc3)o2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.34
NAPEPLD Q6IQ20 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
CPT1A P50416 9/20 0.32
CPT2 P23786 7/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CPT1B Q92523 3/20 0.31
AADAT Q8N5Z0 1/20 0.31
CPS1 P31327 1/20 0.31

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
SCHEMBL6468793 0.90 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL2728770 0.89 BACE1 (0.36) BACE1TRPV1CPT1ACPT2CPT1B
SCHEMBL6466217 0.89 BACE1 (0.36) BACE1TRPV1CPT1ACPT2CPT1B
SCHEMBL6468514 0.88 TRPV1 (0.34) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6466357 0.87 TRPV1 (0.38) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL10290111 0.87 TRPV1 (0.36) BACE1TRPV1CPT1ACPT2BACE2
SCHEMBL6468329 0.86 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL2733371 0.86 BACE1 (0.35) BACE1NAPEPLDTRPV1CPT1ACPT2
SCHEMBL6468210 0.86 BACE1 (0.35) BACE1NAPEPLDTRPV1CPT1ACPT2
SCHEMBL6465338 0.85 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT

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