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SCHEMBL2726255

SCHEMBL2726255

C[C@](Cc1ccccc1)(OC(N)=O)c1nnc(-c2cc(C(=O)N3CCC[C@@H]3c3nc(C4CC4)cs3)cc(-c3ncco3)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 15/20 0.36
▸ CPT2 P23786 11/20 0.36
▸ HCRTR1 O43613 4/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ CPT1B Q92523 5/20 0.34
▸ PKM P14618 1/20 0.33

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
SCHEMBL2729068 0.93 CPT1A (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726425 0.92 HCRTR1 (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726429 0.92 HCRTR1 (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726168 0.92 CPT1A (0.36) CPT1ACPT2HCRTR1HCRTR2CPT1B
Fumaric Acid SCHEMBL2732804 0.89 HCRTR1 (0.34) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726475 0.89 HCRTR1 (0.34) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726641 0.85 HCRTR1 (0.38) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL6465560 0.85 HCRTR1 (0.38) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726642 0.85 HCRTR1 (0.38) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL2726639 0.85 HCRTR1 (0.38) CPT1ACPT2HCRTR1HCRTR2CPT1B

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