SCHEMBL5800519

SCHEMBL5800519

CC(C)(C)OC(=O)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1.Clc1cccc(-n2nnc(C3CCCCN3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.46
CPT2 P23786 3/20 0.46
POLB P06746 1/20 0.42

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
SCHEMBL5303450 0.92 CPT1A (0.52) CPT1ACPT2POLB
SCHEMBL5303447 0.92 CPT1A (0.52) CPT1ACPT2POLB
SCHEMBL2894182 0.90 POLB (0.49) CPT1ACPT2POLB
SCHEMBL2894183 0.90 POLB (0.49) CPT1ACPT2POLB
SCHEMBL5314047 0.83 CPT1A (0.52) CPT1ACPT2
SCHEMBL3963483 0.82 CPT1A (0.52) CPT1ACPT2
SCHEMBL4059432 0.82 CPT1A (0.52) CPT1ACPT2
SCHEMBL5784886 0.82 POLB (0.37) POLB
SCHEMBL3966278 0.82 CPT1A (0.52) CPT1ACPT2
SCHEMBL3962625 0.82 CPT1A (0.52) CPT1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO disclosed