SCHEMBL300685

SCHEMBL300685

Cn1nc(OC(=O)N[C@H]2C3(C)CCC(C3)C2(C)C)c2c1C(Cc1ccccc1Cl)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.41
CNR1 P21554 9/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL176683 0.87 CNR2 (0.45) CNR2CNR1TAS1R3TAS1R1
SCHEMBL176742 0.79 CNR2 (0.44) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300504 0.78 CNR2 (0.42) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300365 0.78 CNR2 (0.41) CNR2CNR1
SCHEMBL300695 0.77 CNR1 (0.46) CNR2CNR1
SCHEMBL300681 0.76 CNR2 (0.40) CNR2CNR1
SCHEMBL300736 0.76 CNR2 (0.43) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300488 0.75 CNR2 (0.53) CNR2CNR1
SCHEMBL300508 0.74 CNR2 (0.46) CNR2CNR1TAS1R3TAS1R1
SCHEMBL300484 0.72 CNR2 (0.51) CNR2CNR1

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