SCHEMBL2725213

SCHEMBL2725213

Cc1csc(C2CCCN2C(=O)c2cc(-c3ncco3)cc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
BACE2 Q9Y5Z0 1/20 0.37
CPT1A P50416 8/20 0.36
CPT2 P23786 7/20 0.36
CPT1B Q92523 2/20 0.35
AADAT Q8N5Z0 1/20 0.35
PKM P14618 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
SCHEMBL2725689 1.00 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2CPT1A
SCHEMBL2725211 1.00 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2CPT1A
SCHEMBL2725690 1.00 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2CPT1A
SCHEMBL6465777 1.00 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2CPT1A
SCHEMBL2725209 1.00 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2CPT1A
SCHEMBL2726366 0.93 BACE1 (0.38) BACE1HCRTR1HCRTR2BACE2
SCHEMBL2726372 0.93 BACE1 (0.38) BACE1HCRTR1HCRTR2BACE2
SCHEMBL2726370 0.93 BACE1 (0.38) BACE1HCRTR1HCRTR2BACE2
SCHEMBL2726641 0.92 HCRTR1 (0.38) BACE1HCRTR1HCRTR2CPT1ACPT2
SCHEMBL2726642 0.92 HCRTR1 (0.38) BACE1HCRTR1HCRTR2CPT1ACPT2

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