SCHEMBL6466608

SCHEMBL6466608

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)nc(-c3nnc([C@@H](C)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
PDK2 Q15119 2/20 0.36
HCRTR2 O43614 2/20 0.35
EGFR P00533 4/20 0.34
HCRTR1 O43613 3/20 0.34
CPT1A P50416 5/20 0.34
CPT2 P23786 4/20 0.34
AADAT Q8N5Z0 1/20 0.34
CPT1B Q92523 2/20 0.33
IRAK1 P51617 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 0.90 TRPV1 (0.38) TRPV1HCRTR2HCRTR1CPT1ACPT2
SCHEMBL2725976 0.90 TRPV1 (0.36) TRPV1HCRTR2HCRTR1CPT1ACPT2
SCHEMBL6467766 0.89 SCD5 (0.35) TRPV1HCRTR2HCRTR1CPT1ACPT2
SCHEMBL6466854 0.89 KCNK3 (0.37) TRPV1CPT1ACPT2AADATCPT1B
SCHEMBL2727050 0.88 TRPV1 (0.36) TRPV1HCRTR2HCRTR1CPT1ACPT2
SCHEMBL6465338 0.88 TRPV1 (0.36) TRPV1HCRTR2HCRTR1CPT1ACPT2
SCHEMBL10290648 0.88 HCRTR1 (0.39) TRPV1HCRTR2HCRTR1
SCHEMBL6466450 0.88 TRPV1 (0.36) TRPV1CPT1ACPT2AADATCPT1B
SCHEMBL6466456 0.86 ADAM17 (0.36) TRPV1HCRTR2HCRTR1
SCHEMBL6468060 0.86 TRPV1 (0.38) TRPV1CPT1ACPT2AADATCPT1B

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