SCHEMBL6468357

SCHEMBL6468357

CCOc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@H](C)Cc3ccccc3)o2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 13/20 0.35
CPT2 P23786 10/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CPT1B Q92523 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6466357 0.91 TRPV1 (0.38) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL6468476 0.89 XIAP (0.34) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2727050 0.89 TRPV1 (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2725976 0.89 TRPV1 (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL6465338 0.89 TRPV1 (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL6466450 0.88 TRPV1 (0.36) CPT1ACPT2CPT1BTRPV1AADAT
SCHEMBL6468060 0.88 TRPV1 (0.38) CPT1ACPT2CPT1BTRPV1AADAT
SCHEMBL6466854 0.87 KCNK3 (0.37) CPT1ACPT2CPT1BTRPV1AADAT
SCHEMBL10290648 0.87 HCRTR1 (0.39) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6468793 0.86 TRPV1 (0.35) CPT1ACPT2CPT1BTRPV1AADAT

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