SCHEMBL4394828

SCHEMBL4394828

CCN(CC)C(=O)c1ccc(-c2noc(C3CNCCN3C(=O)COc3ccccc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.77
CPT2 P23786 10/20 0.77
CPT1B Q92523 4/20 0.57

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
SCHEMBL3555392 0.89 CPT1A (0.73) CPT1ACPT2CPT1B
SCHEMBL3551697 0.88 CPT1A (0.77) CPT1ACPT2CPT1B
SCHEMBL3556573 0.88 CPT1A (0.77) CPT1ACPT2CPT1B
SCHEMBL3547976 0.87 CPT1A (0.80) CPT1ACPT2CPT1B
SCHEMBL3547972 0.87 CPT1A (0.80) CPT1ACPT2CPT1B
SCHEMBL3550363 0.87 CPT1A (1.00) CPT1ACPT2CPT1B
SCHEMBL3550362 0.87 CPT1A (1.00) CPT1ACPT2CPT1B
SCHEMBL3556197 0.87 CPT1A (0.74) CPT1ACPT2CPT1B
SCHEMBL3554124 0.87 CPT1A (0.69) CPT1ACPT2CPT1B
SCHEMBL3556813 0.87 CPT1A (0.79) CPT1ACPT2CPT1B

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 claimed