SCHEMBL2725510

SCHEMBL2725510

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)nc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.41
CPT2 P23786 3/20 0.41
CPT1B Q92523 2/20 0.41
SCD O00767 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 1/20 0.34
ROCK2 O75116 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
PIK3CD O00329 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
SCHEMBL10290126 0.94 CPT1A (0.40) CPT1ACPT2CPT1BSCDTRPV1
SCHEMBL2726736 0.94 TRPV1 (0.36) CPT1ACPT2CPT1BTRPV1SMN1; SMN2
SCHEMBL2727845 0.94 CPT1A (0.39) CPT1ACPT2CPT1BSCDTRPV1
SCHEMBL2726930 0.92 CPT1A (0.42) CPT1ACPT2CPT1BSCDTRPV1
SCHEMBL6467285 0.92 CPT1A (0.42) CPT1ACPT2CPT1BSCDTRPV1
SCHEMBL2726697 0.91 TRPV1 (0.36) CPT1ACPT2TRPV1SMN1; SMN2HCRTR2
SCHEMBL2728191 0.91 SMN1; SMN2 (0.38) CPT1ACPT2CPT1BTRPV1SMN1; SMN2
SCHEMBL2727033 0.90 SMN1; SMN2 (0.37) CPT1ACPT2CPT1BTRPV1SMN1; SMN2
SCHEMBL2726866 0.89 SMN1; SMN2 (0.37) CPT1ACPT2CPT1BTRPV1SMN1; SMN2
SCHEMBL6468061 0.89 CPT1A (0.39) CPT1ACPT2CPT1BSCDTRPV1

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