SCHEMBL1029231

SCHEMBL1029231

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1CNCC2=Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.52
CNR2 P34972 6/20 0.47

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
SCHEMBL1029229 1.00 CNR1 (0.52) CNR1CNR2
SCHEMBL1030365 0.88 CNR1 (0.57) CNR1CNR2
SCHEMBL1030366 0.88 CNR1 (0.57) CNR1CNR2
SCHEMBL1030616 0.88 CNR1 (0.48) CNR1CNR2
SCHEMBL5469963 0.87 CNR1 (0.53) CNR1CNR2
SCHEMBL5469967 0.87 CNR1 (0.53) CNR1CNR2
SCHEMBL3890545 0.86 CNR1 (0.52) CNR1CNR2
SCHEMBL3890543 0.86 CNR1 (0.52) CNR1CNR2
SCHEMBL13411491 0.86 CNR1 (0.52) CNR1CNR2
SCHEMBL3888875 0.85 CNR1 (0.52) 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 disclosed