SCHEMBL2731978

SCHEMBL2731978

COCCNc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc(N(C(=O)O)C(C)Cc3ccccc3)o2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
CPT2 P23786 5/20 0.32
CPT1A P50416 5/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
CPS1 P31327 1/20 0.31
CAMK2D Q13557 1/20 0.31
CPT1B Q92523 1/20 0.31
NAA50 Q9GZZ1 1/20 0.31
ACE P12821 1/20 0.31
ABCB1 P08183 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
AADAT Q8N5Z0 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
SCHEMBL10290111 0.88 TRPV1 (0.36) TRPV1CPT2CPT1ABACE1BACE2
SCHEMBL2734099 0.87 TRPV1 (0.34) TRPV1CPT2CPT1ACPS1NAA50
SCHEMBL6468118 0.83 TRPV1 (0.35) TRPV1CPT2CPT1ABACE1BACE2
SCHEMBL2726827 0.82 SMN1; SMN2 (0.35) TRPV1CPT2CPT1ACPT1BNAA50
SCHEMBL6468060 0.81 TRPV1 (0.38) TRPV1CPT2CPT1ABACE1BACE2
SCHEMBL6468856 0.77 BACE1 (0.34) TRPV1CPT2CPT1ABACE1BACE2
SCHEMBL2733844 0.76 SCD5 (0.33) TRPV1CPT2CPT1ABACE1CPS1
SCHEMBL6466357 0.76 TRPV1 (0.38) TRPV1CPT2CPT1ACPT1BSMN1; SMN2
SCHEMBL6468465 0.76 TRPV1 (0.36) TRPV1CPT2CPT1ABACE1BACE2
SCHEMBL6466293 0.76 TRPV1 (0.36) TRPV1CPT2CPT1ABACE1BACE2

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