SCHEMBL5160761

SCHEMBL5160761

O=C(NN1CCCCC1)Oc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.66
LIPE Q05469 2/20 0.42
KDM1A O60341 3/20 0.41
EP300 Q09472 1/20 0.41
CNR2 P34972 1/20 0.37

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
SCHEMBL5160039 0.88 CNR1 (0.66) CNR1LIPECNR2
SCHEMBL5160389 0.88 CNR1 (0.66) CNR1LIPEKDM1A
SCHEMBL5159475 0.88 CNR1 (0.65) CNR1LIPECNR2
SCHEMBL5158234 0.86 CNR1 (0.69) CNR1LIPE
SCHEMBL4461228 0.80 CNR1 (1.00) CNR1CNR2
SCHEMBL5159918 0.79 CNR1 (0.66) CNR1KDM1AEP300
SCHEMBL5159993 0.79 CNR1 (0.71) CNR1LIPECNR2
SCHEMBL5160432 0.79 CNR1 (0.71) CNR1LIPECNR2
SCHEMBL5159697 0.75 CNR1 (0.67) CNR1LIPE
SCHEMBL18222380 0.69 CNR2 (0.72) CNR1LIPECNR2

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-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP claimed