SCHEMBL6466450

SCHEMBL6466450

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@H](C)Cc4ccccc4)o3)nc(N3CCCC3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
CPT1A P50416 13/20 0.35
CPT2 P23786 10/20 0.35
CPT1B Q92523 4/20 0.34
AADAT Q8N5Z0 4/20 0.34
PKM P14618 1/20 0.33

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 0.93 TRPV1 (0.38) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL10290648 0.92 HCRTR1 (0.39) TRPV1PKM
SCHEMBL2727050 0.91 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6465338 0.91 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL2725976 0.91 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6466456 0.90 ADAM17 (0.36) TRPV1PKM
SCHEMBL6467817 0.89 TRPV1 (0.35) TRPV1CPT1ACPT2AADATPKM
SCHEMBL6466854 0.89 KCNK3 (0.37) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6468060 0.88 TRPV1 (0.38) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6468357 0.88 CPT1A (0.35) 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