SCHEMBL2734099

SCHEMBL2734099

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
CPT1A P50416 8/20 0.34
CPT2 P23786 5/20 0.34
CPS1 P31327 1/20 0.33
AADAT Q8N5Z0 4/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NAA50 Q9GZZ1 1/20 0.32
PKM P14618 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
SCHEMBL6465338 0.87 TRPV1 (0.36) TRPV1CPT1ACPT2AADATXIAP
SCHEMBL2727050 0.87 TRPV1 (0.36) TRPV1CPT1ACPT2AADATXIAP
SCHEMBL2731978 0.87 TRPV1 (0.34) TRPV1CPT1ACPT2CPS1AADAT
SCHEMBL2727046 0.82 AADAT (0.38) TRPV1CPT1ACPT2AADATHCRTR1
SCHEMBL2733844 0.81 SCD5 (0.33) TRPV1CPT1ACPT2CPS1HCRTR1
SCHEMBL6466357 0.80 TRPV1 (0.38) TRPV1CPT1ACPT2AADATHCRTR1
SCHEMBL2726866 0.79 SMN1; SMN2 (0.37) TRPV1CPT1ACPT2CPS1AADAT
SCHEMBL2725976 0.79 TRPV1 (0.36) TRPV1CPT1ACPT2AADATHCRTR1
SCHEMBL6466450 0.78 TRPV1 (0.36) TRPV1CPT1ACPT2AADATPKM
SCHEMBL6468793 0.78 TRPV1 (0.35) TRPV1CPT1ACPT2CPS1AADAT

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