SCHEMBL3579779

SCHEMBL3579779

CCOC(=O)c1ccc(NC(=O)c2cc(OC)c3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CC3)cc1F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.65
CPT1B Q92523 20/20 0.65
CPT2 P23786 19/20 0.65

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
SCHEMBL3571759 0.92 CPT2 (0.76) CPT1ACPT1BCPT2
SCHEMBL3566156 0.91 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL30016029 0.91 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL3572460 0.89 CPT1A (0.63) CPT1ACPT1BCPT2
SCHEMBL3568458 0.88 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3579481 0.87 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL3566030 0.86 CPT1A (0.60) CPT1ACPT1BCPT2
SCHEMBL3572320 0.85 CPT1A (0.54) CPT1ACPT1BCPT2
SCHEMBL752700 0.85 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3568792 0.85 CPT1A (0.59) CPT1ACPT1BCPT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed