SCHEMBL2725367

SCHEMBL2725367

O=C(O)N1CCC[C@@H]1c1nc(CCl)cs1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 11/20 0.43
TRPV1 Q8NER1 5/20 0.42
BAZ2A Q9UIF9 1/20 0.41
CPT2 P23786 8/20 0.41
CPT1B Q92523 5/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL2726142 0.87 BAZ2A (0.48) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL2725756 0.84 CPT1A (0.43) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL6468162 0.83 ALDH1A1 (0.44) BAZ2AKMT2AHSD11B1
SCHEMBL5645605 0.80 TRPV1 (0.46) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL475512 0.80 TRPV1 (0.46) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL2728854 0.78 TRPV1 (0.46) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL27798798 0.76 CPT1A (0.47) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL27798797 0.76 CPT1A (0.47) CPT1ATRPV1BAZ2ACPT2CPT1B
SCHEMBL2636237 0.74 HSD11B1 (0.66) CPT1ATRPV1CPT2CPT1BHSD11B1
SCHEMBL20742595 0.73 PRCP (0.37) CPT1ACPT2CPT1B

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