SCHEMBL300343

SCHEMBL300343

CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.52
CNR1 P21554 11/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL14003059 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871323 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871348 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300396 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL3773738 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL10080609 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871487 1.00 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL10080610 0.98 CNR2 (0.50) CNR2CNR1TAS1R3TAS1R1
SCHEMBL2716866 0.89 CNR2 (0.44) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871366 0.89 CNR2 (0.46) CNR2CNR1TAS1R3TAS1R1

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 4 patents. 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
JP-2009508953-A 2009-03-05 JP claimed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP claimed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 WO claimed