SCHEMBL6465986

SCHEMBL6465986

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@H](C)Cc4ccccc4)o3)cc(N3CCCC3=O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
SCD5 Q86SK9 6/20 0.34
SCD O00767 6/20 0.34
AADAT Q8N5Z0 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CPT1A P50416 3/20 0.33
CPT2 P23786 2/20 0.33
CPT1B Q92523 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
SCHEMBL10290120 0.86 SCD5 (0.40) TRPV1SCD5SCDAADATHCRTR1
SCHEMBL2725083 0.85 BACE1 (0.36) TRPV1SCD5SCDAADATHCRTR1
SCHEMBL2725081 0.85 BACE1 (0.36) TRPV1SCD5SCDAADATHCRTR1
SCHEMBL2726775 0.84 TRPV1 (0.35) TRPV1SCD5SCDHCRTR1HCRTR2
SCHEMBL6468829 0.83 SCD5 (0.34) TRPV1SCD5SCDAADATHCRTR1
SCHEMBL2726560 0.83 TRPV1 (0.33) TRPV1SCD5SCDHCRTR1HCRTR2
SCHEMBL6466357 0.81 TRPV1 (0.38) TRPV1AADATHCRTR1HCRTR2CPT1A
SCHEMBL2725976 0.80 TRPV1 (0.36) TRPV1AADATHCRTR1HCRTR2CPT1A
SCHEMBL6466450 0.80 TRPV1 (0.36) TRPV1AADATCPT1ACPT2CPT1B
SCHEMBL6465338 0.79 TRPV1 (0.36) TRPV1AADATHCRTR1HCRTR2CPT1A

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