SCHEMBL4684381

SCHEMBL4684381

O=C(NN1CCCCC1)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.50
CNR1 P21554 7/20 0.47
CNR2 P34972 1/20 0.43
SLC2A1 P11166 7/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4684331 0.93 LIPE (0.54) LIPECNR1CNR2SLC2A1KDM4E
SCHEMBL4677613 0.87 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4676521 0.86 LIPE (0.44) LIPECNR1CNR2KDM4ENPC1
SCHEMBL4678722 0.84 LIPE (0.42) LIPECNR1CNR2ALDH1A1
SCHEMBL4676993 0.84 CNR1 (0.53) CNR1CNR2SLC2A1KDM4EHTT
SCHEMBL4680846 0.82 LIPE (0.48) LIPECNR1CNR2
SCHEMBL4680352 0.81 LIPE (0.47) LIPECNR1CNR2ALDH1A1
SCHEMBL4679631 0.80 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4677885 0.80 LIPE (0.47) LIPECNR1CNR2NPC1RAB9A
SCHEMBL4684182 0.79 LIPE (0.46) LIPECNR1CNR2

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 claimed