SCHEMBL1028504

SCHEMBL1028504

COc1ccc(/C=C2\CN(S(C)(=O)=O)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4)c32)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.68
CNR2 P34972 8/20 0.64

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
SCHEMBL1028558 0.91 CNR1 (0.78) CNR1CNR2
SCHEMBL1027413 0.91 CNR1 (0.78) CNR1CNR2
SCHEMBL1028812 0.89 CNR1 (0.55) CNR1CNR2
SCHEMBL1027337 0.83 CNR1 (0.75) CNR1CNR2
SCHEMBL1028871 0.82 CNR1 (0.78) CNR1CNR2
SCHEMBL1029187 0.82 CNR1 (0.78) CNR1CNR2
SCHEMBL6108855 0.82 PTGS2 (0.44) CNR1CNR2
SCHEMBL6110408 0.82 PTGS2 (0.44) CNR1CNR2
SCHEMBL1029029 0.82 CNR1 (0.79) CNR1CNR2
SCHEMBL1029031 0.82 CNR1 (0.79) 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 2 patents. 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
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP disclosed