SCHEMBL2726286

SCHEMBL2726286

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)nc(N3CCOC3=O)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.34
TRPV1 Q8NER1 2/20 0.34
NAA50 Q9GZZ1 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
CPT1A P50416 7/20 0.32
CPT2 P23786 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PKM P14618 1/20 0.31
CPT1B Q92523 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2726283 1.00 BACE1 (0.34) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2726344 0.92 SMN1; SMN2 (0.35) TRPV1NAA50AADATCPT1ACPT2
SCHEMBL2725512 0.92 SMN1; SMN2 (0.35) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL6466803 0.92 SMN1; SMN2 (0.35) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2725515 0.92 SMN1; SMN2 (0.35) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2728672 0.91 NAA50 (0.34) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL6468356 0.91 NAA50 (0.34) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2728674 0.91 NAA50 (0.34) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2728283 0.90 TRPV1 (0.35) BACE1TRPV1NAA50AADATCPT1A
SCHEMBL2728281 0.90 TRPV1 (0.35) BACE1TRPV1NAA50AADATCPT1A

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