SCHEMBL2725533

SCHEMBL2725533

CC(=O)N(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
CPT1A P50416 6/20 0.34
CPT2 P23786 5/20 0.34
POLB P06746 1/20 0.34
CPS1 P31327 1/20 0.34
NAA50 Q9GZZ1 1/20 0.33
USP30 Q70CQ3 2/20 0.33
UCHL1 P09936 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
PKM P14618 1/20 0.31
CPT1B Q92523 2/20 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
SCHEMBL2725028 0.93 BACE1 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2725449 0.92 BACE1 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2725447 0.92 BACE1 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL6466212 0.92 BACE1 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2728191 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2727849 0.91 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2727033 0.90 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2726866 0.90 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2727845 0.89 CPT1A (0.39) SMN1; SMN2TRPV1CPT1ACPT2POLB
SCHEMBL2727131 0.89 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1CPT1ACPT2POLB

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