SCHEMBL5774781

SCHEMBL5774781

O=C(NC1CCCN(C(=O)O)C1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.71
MALT1 Q9UDY8 1/20 0.46
CNR2 P34972 1/20 0.44

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
SCHEMBL5774830 0.91 CNR1 (0.70) CNR1MALT1CNR2
SCHEMBL5943014 0.86 CNR1 (0.63) CNR1CNR2
SCHEMBL4457218 0.84 CNR1 (1.00) CNR1
SCHEMBL5943307 0.78 CNR1 (0.80) CNR1CNR2
SCHEMBL5943309 0.78 CNR1 (0.80) CNR1CNR2
Hydrochloric Acid SCHEMBL5771259 0.77 CNR1 (0.74) CNR1
SCHEMBL30831092 0.77 GRM5 (0.64)
SCHEMBL5943018 0.76 CNR1 (0.57) CNR1CNR2
SCHEMBL5769982 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL4452937 0.74 CNR1 (0.77) CNR1

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-1641779-A1 2-SUBSTITUED 5, 6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATOR. AstraZeneca AB (SE) 2006-04-05 EP disclosed
WO-2004111033-A1 2-SUBSTITUED 5, 6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATOR. ASTRAZENECA AB (SE) 2004-12-23 WO disclosed