SCHEMBL2725796

SCHEMBL2725796

COc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
BACE1 P56817 2/20 0.35
CPT1A P50416 10/20 0.35
CPT2 P23786 8/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
CPT1B Q92523 4/20 0.34
LMNA P02545 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2725797 1.00 TRPV1 (0.35) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL6467109 1.00 TRPV1 (0.35) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL2727752 0.93 CPT1A (0.35) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL2727750 0.93 CPT1A (0.35) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL2727020 0.92 TRPV1 (0.37) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL2727018 0.92 TRPV1 (0.37) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL6468850 0.92 TRPV1 (0.37) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL6468130 0.92 BACE1 (0.35) TRPV1BACE1CPT1ACPT2SMN1; SMN2
SCHEMBL2727131 0.91 SMN1; SMN2 (0.38) TRPV1CPT1ACPT2SMN1; SMN2SCD
SCHEMBL6468360 0.91 TRPV1 (0.36) TRPV1BACE1CPT1ACPT2SMN1; SMN2

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 2 patents. 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 claimed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed