SCHEMBL6468130

SCHEMBL6468130

Cc1csc([C@H]2CCCN2C(=O)c2cc(OC(F)F)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
HCRTR2 O43614 8/20 0.35
HCRTR1 O43613 7/20 0.35
BACE2 Q9Y5Z0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CPT1A P50416 5/20 0.33
CPT2 P23786 4/20 0.33
AADAT Q8N5Z0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPT1B Q92523 1/20 0.32

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
Fumaric Acid SCHEMBL2732857 0.97 BACE1 (0.33) BACE1HCRTR2HCRTR1BACE2TRPV1
SCHEMBL2725796 0.92 TRPV1 (0.35) BACE1HCRTR2HCRTR1TRPV1CPT1A
SCHEMBL2725797 0.92 TRPV1 (0.35) BACE1HCRTR2HCRTR1TRPV1CPT1A
SCHEMBL6467109 0.92 TRPV1 (0.35) BACE1HCRTR2HCRTR1TRPV1CPT1A
SCHEMBL2727752 0.91 CPT1A (0.35) BACE1HCRTR2HCRTR1TRPV1CPT1A
SCHEMBL2727750 0.91 CPT1A (0.35) BACE1HCRTR2HCRTR1TRPV1CPT1A
SCHEMBL2727020 0.90 TRPV1 (0.37) BACE1HCRTR2HCRTR1BACE2TRPV1
SCHEMBL2727018 0.90 TRPV1 (0.37) BACE1HCRTR2HCRTR1BACE2TRPV1
SCHEMBL6468850 0.90 TRPV1 (0.37) BACE1HCRTR2HCRTR1BACE2TRPV1
SCHEMBL2728516 0.90 SMN1; SMN2 (0.35) HCRTR2HCRTR1TRPV1SMN1; 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 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