SCHEMBL2726650

SCHEMBL2726650

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)nc(-n3ccnc3)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 1/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
ROCK2 O75116 2/20 0.34
BACE1 P56817 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
CPT2 P23786 3/20 0.33
CPT1A P50416 3/20 0.33
AADAT Q8N5Z0 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PKM P14618 1/20 0.32
CPT1B Q92523 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
NAA50 Q9GZZ1 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
SCHEMBL2726646 1.00 NAPEPLD (0.34) NAPEPLDNOS1NOS2ROCK2BACE1
Fumaric Acid SCHEMBL2733545 0.97 NAPEPLD (0.33) NAPEPLDNOS1NOS2ROCK2BACE1
SCHEMBL2728838 0.93 ROCK2 (0.34) NAPEPLDNOS1NOS2ROCK2TRPV1
SCHEMBL2728147 0.92 SMN1; SMN2 (0.34) NAPEPLDNOS1NOS2ROCK2TRPV1
SCHEMBL6466572 0.90 HCRTR1 (0.39) BACE1TRPV1HCRTR1HCRTR2
SCHEMBL2728281 0.89 TRPV1 (0.35) BACE1TRPV1CPT2CPT1AAADAT
SCHEMBL2728283 0.89 TRPV1 (0.35) BACE1TRPV1CPT2CPT1AAADAT
SCHEMBL6468850 0.89 TRPV1 (0.37) BACE1TRPV1CPT2CPT1AAADAT
SCHEMBL2727020 0.89 TRPV1 (0.37) BACE1TRPV1CPT2CPT1AAADAT
SCHEMBL2727018 0.89 TRPV1 (0.37) BACE1TRPV1CPT2CPT1AAADAT

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