SCHEMBL2726296

SCHEMBL2726296

COc1ccc(CNc2cc(C(=O)N3CCC[C@@H]3c3nc(C)cs3)cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCP P55072 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
CPT1A P50416 8/20 0.34
CPT2 P23786 6/20 0.33
CPT1B Q92523 3/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL6468057 0.95 VCP (0.35) KCNQ1SMN1; SMN2VCPTRPV1CPT1A
SCHEMBL2726767 0.90 TRPV1 (0.36) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL2726827 0.90 SMN1; SMN2 (0.35) KCNQ1SMN1; SMN2TRPV1CPT1ACPT2
SCHEMBL2727131 0.88 SMN1; SMN2 (0.38) KCNQ1SMN1; SMN2TRPV1CPT1ACPT2
SCHEMBL2728191 0.88 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL2727686 0.87 TRPV1 (0.36) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL6466798 0.86 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL6468069 0.86 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL2727033 0.86 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1CPT1ACPT2CPT1B
SCHEMBL2726866 0.86 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1CPT1ACPT2CPT1B

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