SCHEMBL4397428

SCHEMBL4397428

CNC(=O)Oc1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.75
CPT2 P23786 14/20 0.70
CPT1B Q92523 6/20 0.70

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
SCHEMBL4403930 0.91 CPT1A (0.81) CPT1ACPT2CPT1B
SCHEMBL3558425 0.90 CPT1A (0.81) CPT1ACPT2CPT1B
SCHEMBL3558429 0.90 CPT1A (0.81) CPT1ACPT2CPT1B
SCHEMBL4394666 0.88 CPT1A (0.73) CPT1ACPT2CPT1B
SCHEMBL3554253 0.87 CPT1A (0.76) CPT1ACPT2CPT1B
SCHEMBL3554241 0.87 CPT1A (0.76) CPT1ACPT2CPT1B
SCHEMBL3555341 0.86 CPT1A (0.76) CPT1ACPT2CPT1B
SCHEMBL3555343 0.86 CPT1A (0.76) CPT1ACPT2CPT1B
SCHEMBL3557301 0.86 CPT1A (1.00) CPT1ACPT2CPT1B
SCHEMBL3557308 0.86 CPT1A (1.00) 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