SCHEMBL2726344

SCHEMBL2726344

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
POLB P06746 1/20 0.33
NAA50 Q9GZZ1 1/20 0.32
CPT1A P50416 5/20 0.31
CPT2 P23786 4/20 0.31
AADAT Q8N5Z0 3/20 0.31
PKM P14618 1/20 0.30
CPT1B Q92523 1/20 0.30
CPS1 P31327 1/20 0.30

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
SCHEMBL2726018 0.92 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2726283 0.92 BACE1 (0.34) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2726286 0.92 BACE1 (0.34) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2726748 0.91 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2728191 0.90 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2728180 0.89 HCRTR1 (0.38) SMN1; SMN2TRPV1POLB
SCHEMBL2727033 0.88 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2726866 0.88 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2727188 0.88 SMN1; SMN2 (0.34) SMN1; SMN2TRPV1POLBNAA50CPT1A
SCHEMBL2727446 0.88 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1POLBPKM

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