SCHEMBL2727730

SCHEMBL2727730

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3ccn(C)n3)nc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 10/20 0.34
CPT2 P23786 8/20 0.34
TRPV1 Q8NER1 1/20 0.33
KCNK3 O14649 1/20 0.33
NAA50 Q9GZZ1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPT1B Q92523 3/20 0.32
JMJD6 Q6NYC1 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AADAT Q8N5Z0 1/20 0.31

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
SCHEMBL2725793 0.92 BACE1 (0.35) CPT1ACPT2TRPV1KCNK3NAA50
SCHEMBL2725792 0.92 BACE1 (0.35) CPT1ACPT2TRPV1KCNK3NAA50
SCHEMBL2726586 0.90 CPT1A (0.35) CPT1ACPT2TRPV1CPT1B
SCHEMBL2729471 0.90 SCD5 (0.34) CPT1ACPT2TRPV1NAA50SMN1; SMN2
SCHEMBL2727049 0.89 CPT1A (0.35) CPT1ACPT2TRPV1SMN1; SMN2CPT1B
SCHEMBL2729068 0.89 CPT1A (0.36) CPT1ACPT2CPT1B
SCHEMBL2726162 0.89 SMN1; SMN2 (0.36) CPT1ACPT2TRPV1KCNK3NAA50
SCHEMBL2726340 0.88 SCD5 (0.38) CPT1ACPT2TRPV1SMN1; SMN2CPT1B
SCHEMBL2728838 0.88 ROCK2 (0.34) CPT1ACPT2TRPV1SMN1; SMN2CPT1B
SCHEMBL6468850 0.84 TRPV1 (0.37) CPT1ACPT2TRPV1NAA50SMN1; SMN2

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