SCHEMBL300468

SCHEMBL300468

O=C(NC1CCC1)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CNR2 P34972 13/20 0.41
CNR1 P21554 14/20 0.41

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
SCHEMBL300710 0.91 CNR2 (0.46) FAAHCNR2CNR1
SCHEMBL300475 0.88 CNR2 (0.42) CNR2CNR1
SCHEMBL176413 0.88 CNR2 (0.53) CNR2CNR1
SCHEMBL300689 0.86 CNR1 (0.40) CNR2CNR1
SCHEMBL300695 0.85 CNR1 (0.46) FAAHCNR2CNR1
SCHEMBL3470418 0.82 CNR2 (0.41) CNR2CNR1
SCHEMBL300711 0.82 CNR2 (0.44) CNR2CNR1
SCHEMBL176831 0.81 CNR2 (0.56) CNR2CNR1
SCHEMBL300745 0.80 CNR1 (0.39) FAAHCNR2CNR1
SCHEMBL300716 0.80 CNR1 (0.39) FAAHCNR2CNR1

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed