SCHEMBL5800905

SCHEMBL5800905

CN=C(SC)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1.CNC(=S)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.43
CPT2 P23786 4/20 0.43

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
SCHEMBL4202786 0.92 CPT1A (0.47) CPT1ACPT2
SCHEMBL4202781 0.92 CPT1A (0.47) CPT1ACPT2
SCHEMBL5483440 0.91 CPT1A (0.50) CPT1ACPT2
SCHEMBL2899523 0.90 CPT1A (0.44) CPT1ACPT2
SCHEMBL2899520 0.90 CPT1A (0.44) CPT1ACPT2
SCHEMBL2899526 0.90 CPT1A (0.44) CPT1ACPT2
SCHEMBL2895611 0.88 CPT1A (0.47) CPT1ACPT2
SCHEMBL8226219 0.82 CPT1A (0.45) CPT1ACPT2
SCHEMBL8220751 0.80 CPT1A (0.48) CPT1ACPT2
SCHEMBL8228386 0.80 CPT1A (0.48) 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