SCHEMBL5754645

SCHEMBL5754645

CC(O)CNC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
HPGD P15428 1/20 0.39
CNR1 P21554 4/20 0.38
ACVR1 Q04771 1/20 0.37
CNR2 P34972 2/20 0.37
ACR P10323 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL5463778 0.87 NPC1 (0.43) CNR1ADORA2A
SCHEMBL5483533 0.84 CNR2 (0.46) CNR1CNR2MAPT
SCHEMBL5749906 0.83 UTS2R (0.41) CNR1CNR2
SCHEMBL4678614 0.83 CNR1 (0.44) GABRA5CNR1CNR2MAPT
SCHEMBL4684369 0.81 CNR1 (0.53) HPGDCNR1CNR2PDE4APDE4B
SCHEMBL4680498 0.81 HTT (0.48) CNR1CNR2
SCHEMBL5458659 0.80 GABRA5 (0.45) GABRA5CNR1CNR2
SCHEMBL5483536 0.79 CNR1 (0.41) CNR1CNR2MAPT
SCHEMBL4677223 0.78 CNR1 (0.44) GABRA5CNR1CNR2
SCHEMBL5737797 0.78 PDE4B (0.53) CNR1EGLN1MAPTPDE4B

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 disclosed
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 disclosed