SCHEMBL5754353

SCHEMBL5754353

O=C(NN1CCCCC1)c1ncc(-c2ccc(Cl)cc2)nc1Cn1cnnn1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 16/20 0.47

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
SCHEMBL4680276 0.86 CNR1 (0.52) CNR2CNR1
SCHEMBL27655896 0.82 ALDH1A1 (0.40)
SCHEMBL4679579 0.76 CNR1 (0.52) CNR2CNR1
SCHEMBL4680352 0.75 LIPE (0.47) CNR2CNR1
SCHEMBL27655888 0.71 HPGD (0.47) CNR2
SCHEMBL27656023 0.70 LOXL2 (0.34)
SCHEMBL4681746 0.70 CNR1 (0.58) CNR2CNR1
SCHEMBL4678687 0.69 CNR1 (0.53) CNR2CNR1
SCHEMBL5451312 0.69 CNR1 (0.49) CNR2CNR1
SCHEMBL4680988 0.69 CNR1 (0.47) CNR2CNR1

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