SCHEMBL5789882

SCHEMBL5789882

CSc1nnnn1Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NC(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
LIPE Q05469 2/20 0.41
CNR1 P21554 8/20 0.37
KMT2A Q03164 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33

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
SCHEMBL5458518 0.88 CNR1 (0.48) CNR1
SCHEMBL4677518 0.76 CNR1 (0.51) ACHECNR1
SCHEMBL4680719 0.73 CNR1 (0.49) CNR1
SCHEMBL5459831 0.72 CNR1 (0.48) CNR1
SCHEMBL4680357 0.71 CNR1 (0.49) CNR1
SCHEMBL4677630 0.70 CNR1 (0.46) CNR1
SCHEMBL4680276 0.68 CNR1 (0.52) CNR1
SCHEMBL4678157 0.67 CNR1 (0.54) ACHECNR1
SCHEMBL4681746 0.67 CNR1 (0.58) CNR1
SCHEMBL4684182 0.67 LIPE (0.46) LIPECNR1

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-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP claimed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO claimed