SCHEMBL2726484

SCHEMBL2726484

COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 4/20 0.39
HSD11B1 P28845 2/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
BAZ2A Q9UIF9 1/20 0.35

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
SCHEMBL2726428 0.88 NAA50 (0.39) NAA50HSD11B1POLBTRPV1CPT2
SCHEMBL2725263 0.85 NAA50 (0.42) NAA50HSD11B1POLBTRPV1CPT2
SCHEMBL2727029 0.85 HSD11B1 (0.37) NAA50HSD11B1POLBTRPV1CPT2
SCHEMBL166240 0.83 TRPV1 (0.42) NAA50POLBTRPV1CPT2CPT1A
SCHEMBL166241 0.83 TRPV1 (0.42) NAA50POLBTRPV1CPT2CPT1A
SCHEMBL6466955 0.82 BAZ2A (0.41) NAA50POLBTRPV1CPT2CPT1A
SCHEMBL6464489 0.82 POLB (0.39) NAA50POLBTRPV1CPT2CPT1A
SCHEMBL2725418 0.81 CPT2 (0.42) NAA50HSD11B1POLBTRPV1CPT2
SCHEMBL10290636 0.81 BAZ2A (0.42) NAA50POLBTRPV1CPT2CPT1A
SCHEMBL165849 0.81 ROCK2 (0.49) NAA50POLBTRPV1CPT2CPT1A

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