SCHEMBL2728283

SCHEMBL2728283

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)nc(N3CCCC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
BACE1 P56817 3/20 0.35
AADAT Q8N5Z0 1/20 0.35
CPT1A P50416 11/20 0.35
CPT2 P23786 9/20 0.35
CPT1B Q92523 3/20 0.34
NAA50 Q9GZZ1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
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
SCHEMBL2728281 1.00 TRPV1 (0.35) TRPV1BACE1AADATCPT1ACPT2
Fumaric Acid SCHEMBL2733058 0.97 BACE1 (0.34) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL2727018 0.93 TRPV1 (0.37) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL6468850 0.93 TRPV1 (0.37) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL2727020 0.93 TRPV1 (0.37) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL6466572 0.92 HCRTR1 (0.39) TRPV1BACE1
SCHEMBL6468360 0.92 TRPV1 (0.36) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL2726211 0.92 TRPV1 (0.36) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL2726209 0.92 TRPV1 (0.36) TRPV1BACE1AADATCPT1ACPT2
SCHEMBL2728672 0.91 NAA50 (0.34) TRPV1BACE1AADATCPT1ACPT2

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 claimed