SCHEMBL6468360

SCHEMBL6468360

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
BACE1 P56817 3/20 0.36
AADAT Q8N5Z0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CPT1A P50416 7/20 0.34
CPT2 P23786 6/20 0.34
NAA50 Q9GZZ1 1/20 0.34
PKM P14618 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CPT1B Q92523 2/20 0.33
POLB P06746 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
SCHEMBL2726209 1.00 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2726211 1.00 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2727018 0.94 TRPV1 (0.37) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL6468850 0.94 TRPV1 (0.37) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2727020 0.94 TRPV1 (0.37) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2726027 0.92 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL6467257 0.92 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2726032 0.92 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL6466055 0.92 TRPV1 (0.36) TRPV1BACE1AADATSMN1; SMN2CPT1A
SCHEMBL2728283 0.92 TRPV1 (0.35) TRPV1BACE1AADATSMN1; SMN2CPT1A

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