SCHEMBL4783591

SCHEMBL4783591

O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CN1C=CC(F)(F)C=C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.51
CNR2 P34972 6/20 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
SCHEMBL4681746 0.84 CNR1 (0.58) CNR1CNR2
SCHEMBL4677653 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL4681525 0.81 CNR1 (0.61) CNR1CNR2
SCHEMBL4676993 0.79 CNR1 (0.53) CNR1CNR2
SCHEMBL4678687 0.78 CNR1 (0.53) CNR1CNR2
SCHEMBL4680221 0.78 CNR1 (0.56) CNR1CNR2
SCHEMBL4680276 0.78 CNR1 (0.52) CNR1CNR2
SCHEMBL4681287 0.77 CNR1 (0.53) CNR1CNR2
SCHEMBL4678157 0.77 CNR1 (0.54) CNR1CNR2
SCHEMBL4681404 0.77 CNR1 (0.51) CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed