SCHEMBL300508

SCHEMBL300508

CC12CCC(C1)C(C)(C)C2NC(=O)Oc1nn(Cc2ccccc2)c2c1CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.46
CNR1 P21554 7/20 0.46
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL300484 0.93 CNR2 (0.51) CNR2CNR1
SCHEMBL4712149 0.88 TAS1R3 (0.41) CNR2CNR1TAS1R3TAS1R1
SCHEMBL4714049 0.87 CNR2 (0.40) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300736 0.86 CNR2 (0.43) CNR2CNR1TAS1R3TAS1R1
SCHEMBL4709016 0.86 CNR2 (0.40) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871505 0.84 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL10216961 0.84 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1
SCHEMBL13871619 0.83 CNR2 (0.47) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300538 0.80 CNR2 (0.39) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300671 0.80 CNR2 (0.39) 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 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