SCHEMBL4394666

SCHEMBL4394666

CNC(=O)Oc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.73
CPT2 P23786 11/20 0.73
CPT1B Q92523 6/20 0.68

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
SCHEMBL4399785 0.92 CPT1A (0.71) CPT1ACPT2CPT1B
SCHEMBL4395608 0.91 CPT1A (0.79) CPT1ACPT2CPT1B
SCHEMBL4401265 0.90 CPT1A (0.79) CPT1ACPT2CPT1B
SCHEMBL4397109 0.89 CPT1A (0.73) CPT1ACPT2CPT1B
SCHEMBL4397428 0.88 CPT1A (0.75) CPT1ACPT2CPT1B
SCHEMBL3556428 0.88 CPT1A (0.77) CPT1ACPT2CPT1B
SCHEMBL3556433 0.88 CPT1A (0.77) CPT1ACPT2CPT1B
SCHEMBL3550587 0.85 CPT1A (0.82) CPT1ACPT2CPT1B
SCHEMBL4394115 0.85 CPT1A (0.82) CPT1ACPT2CPT1B
SCHEMBL3550593 0.85 CPT1A (0.82) 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