SCHEMBL1031384

SCHEMBL1031384

COc1ccc(/C=C2\CN(C(C)=O)Cc3c(OC(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.52
CNR2 P34972 12/20 0.52

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
SCHEMBL1029788 0.92 CNR1 (0.48) CNR1CNR2
SCHEMBL1029401 0.89 CNR1 (0.49) CNR1CNR2
SCHEMBL1030330 0.88 CNR1 (0.62) CNR1CNR2
SCHEMBL1030332 0.88 CNR1 (0.62) CNR1CNR2
SCHEMBL300686 0.88 CNR1 (0.55) CNR1CNR2
SCHEMBL1028872 0.87 CNR1 (0.52) CNR1CNR2
SCHEMBL1029373 0.84 CNR1 (0.68) CNR1CNR2
SCHEMBL1028896 0.82 CNR1 (0.62) CNR1CNR2
SCHEMBL1028898 0.82 CNR1 (0.62) CNR1CNR2
SCHEMBL1082469 0.82 CNR1 (0.46) 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-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP claimed