SCHEMBL2725449

SCHEMBL2725449

CC(=O)N(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@](C)(N)Cc3ccccc3)o2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
AADAT Q8N5Z0 1/20 0.34
NAA50 Q9GZZ1 1/20 0.34
CPT1A P50416 5/20 0.33
CPT2 P23786 4/20 0.33
CPS1 P31327 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PKM P14618 1/20 0.32
CPT1B Q92523 1/20 0.32
POLB P06746 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
SCHEMBL2725447 1.00 BACE1 (0.37) BACE1BACE2TRPV1AADATNAA50
SCHEMBL6466212 1.00 BACE1 (0.37) BACE1BACE2TRPV1AADATNAA50
SCHEMBL6467062 0.92 BACE1 (0.45) BACE1BACE2TRPV1AADATCPT1A
SCHEMBL2726759 0.92 BACE1 (0.45) BACE1BACE2TRPV1AADATCPT1A
SCHEMBL2725533 0.92 SMN1; SMN2 (0.36) TRPV1AADATNAA50CPT1ACPT2
SCHEMBL2726761 0.92 BACE1 (0.45) BACE1BACE2TRPV1AADATCPT1A
SCHEMBL2727018 0.91 TRPV1 (0.37) BACE1BACE2TRPV1AADATNAA50
SCHEMBL2727020 0.91 TRPV1 (0.37) BACE1BACE2TRPV1AADATNAA50
SCHEMBL6468850 0.91 TRPV1 (0.37) BACE1BACE2TRPV1AADATNAA50
SCHEMBL6468210 0.90 BACE1 (0.35) BACE1BACE2TRPV1AADATCPT1A

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