SCHEMBL300550

SCHEMBL300550

COc1ccc(/C=C2\CCCCc3c(OC(=O)N[C@H](CO)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.56
CNR2 P34972 16/20 0.56

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
SCHEMBL300542 0.92 CNR1 (0.65) CNR1CNR2
SCHEMBL300743 0.91 CNR1 (0.66) CNR1CNR2
SCHEMBL298634 0.91 CNR1 (0.66) CNR1CNR2
SCHEMBL176642 0.89 CNR1 (0.68) CNR1CNR2
SCHEMBL300700 0.87 CNR1 (0.67) CNR1CNR2
SCHEMBL300670 0.85 CNR1 (0.71) CNR1CNR2
SCHEMBL300477 0.85 CNR1 (0.71) CNR1CNR2
SCHEMBL300515 0.84 CNR1 (0.71) CNR1CNR2
SCHEMBL300380 0.84 CNR1 (0.71) CNR1CNR2
SCHEMBL300566 0.84 CNR1 (0.51) 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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed