SCHEMBL2726560

SCHEMBL2726560

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)cc(N3CCCC3=O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
CPT1A P50416 11/20 0.33
CPT2 P23786 9/20 0.33
CPT1B Q92523 4/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
SCD O00767 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SCD5 Q86SK9 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
SCHEMBL2725083 0.93 BACE1 (0.36) TRPV1CPT1ACPT2CPT1BHCRTR1
SCHEMBL2725081 0.93 BACE1 (0.36) TRPV1CPT1ACPT2CPT1BHCRTR1
SCHEMBL2726775 0.90 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BHCRTR1
SCHEMBL2728291 0.85 CPT1A (0.35) TRPV1CPT1ACPT2CPT1BHCRTR1
SCHEMBL6465986 0.83 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BHCRTR1
SCHEMBL2725515 0.82 SMN1; SMN2 (0.35) TRPV1CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL6466803 0.82 SMN1; SMN2 (0.35) TRPV1CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL2725512 0.82 SMN1; SMN2 (0.35) TRPV1CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL2725040 0.81 BACE1 (0.39) TRPV1CPT1ACPT2HCRTR1HCRTR2
SCHEMBL2725044 0.81 BACE1 (0.39) TRPV1CPT1ACPT2HCRTR1HCRTR2

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