SCHEMBL6468465

SCHEMBL6468465

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
BACE1 P56817 3/20 0.34
NAA50 Q9GZZ1 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
POLB P06746 1/20 0.32
CPT1A P50416 6/20 0.32
CPT2 P23786 5/20 0.32
PKM P14618 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CPT1B Q92523 1/20 0.31
CPS1 P31327 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
SCHEMBL6466293 1.00 TRPV1 (0.36) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL6467190 0.93 TRPV1 (0.37) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL6468118 0.93 TRPV1 (0.35) TRPV1BACE1NAA50AADATSMN1; SMN2
Fumaric Acid SCHEMBL2732848 0.91 TRPV1 (0.35) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL10291016 0.90 TRPV1 (0.37) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL2727018 0.90 TRPV1 (0.37) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL6468850 0.90 TRPV1 (0.37) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL2727020 0.90 TRPV1 (0.37) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL10290679 0.90 BACE1 (0.38) TRPV1BACE1NAA50AADATSMN1; SMN2
SCHEMBL2725842 0.90 BACE1 (0.38) TRPV1BACE1NAA50AADATSMN1; SMN2

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