SCHEMBL6466478

SCHEMBL6466478

COC(=N)c1cc(C(=O)N2CCCC2c2nc(C)cs2)cc(C(=O)OC)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
NAA50 Q9GZZ1 4/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
GRM5 P41594 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL10290107 0.88 CPT2 (0.41) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL2725916 0.88 CPT1A (0.41) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL2726881 0.88 CPT2 (0.41) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL6464569 0.88 CPT1A (0.41) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL2725418 0.87 CPT2 (0.42) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL2726932 0.87 CPT2 (0.45) CPT2CPT1ACPT1BPOLBTRPV1
SCHEMBL2726984 0.86 CPT2 (0.41) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL6468250 0.85 CPT1A (0.40) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL6468193 0.84 CPT1A (0.40) CPT2CPT1ACPT1BNAA50POLB
SCHEMBL2725628 0.84 CPT2 (0.38) CPT2CPT1ACPT1BNAA50POLB

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