SCHEMBL4395316

SCHEMBL4395316

COC(=O)c1cccc(-c2noc(C3COCCN3C(=O)COc3ccccc3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.70
CPT1B Q92523 4/20 0.65
CPT2 P23786 8/20 0.63

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
SCHEMBL3557870 0.92 CPT1A (0.77) CPT1ACPT1BCPT2
SCHEMBL3557505 0.88 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3557507 0.88 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3549320 0.85 CPT1A (0.76) CPT1ACPT1BCPT2
SCHEMBL4394562 0.85 CPT1A (0.63) CPT1ACPT1BCPT2
SCHEMBL3555753 0.84 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL3555759 0.84 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL3558345 0.84 CPT1A (0.66) CPT1ACPT1BCPT2
SCHEMBL4399738 0.84 CPT1A (0.72) CPT1ACPT1BCPT2
SCHEMBL3558455 0.83 CPT1A (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed