SCHEMBL2727752

SCHEMBL2727752

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 11/20 0.35
CPT2 P23786 10/20 0.35
AADAT Q8N5Z0 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CPT1B Q92523 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
BACE1 P56817 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2727750 1.00 CPT1A (0.35) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2725796 0.93 TRPV1 (0.35) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2725797 0.93 TRPV1 (0.35) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL6467109 0.93 TRPV1 (0.35) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2724978 0.92 SMN1; SMN2 (0.37) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2727018 0.91 TRPV1 (0.37) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2727020 0.91 TRPV1 (0.37) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL6468850 0.91 TRPV1 (0.37) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL6468130 0.91 BACE1 (0.35) CPT1ACPT2AADATHCRTR1HCRTR2
SCHEMBL2726211 0.90 TRPV1 (0.36) CPT1ACPT2AADATCPT1BTRPV1

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