SCHEMBL15219081

SCHEMBL15219081

CC(C)c1cc(NC(=O)C(C)(C)CCC2CCOCC2)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.39
CNR2 P34972 15/20 0.39
CNR1 P21554 9/20 0.36
GCK P35557 2/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL1621068 0.82 CNR2 (0.56) HTR4CNR2CNR1GCK
SCHEMBL16358880 0.81 CNR2 (0.37) HTR4CNR2CNR1GCK
SCHEMBL766858 0.67 CNR2 (0.57) CNR2CNR1
SCHEMBL14221916 0.67 CNR2 (0.50) CNR2
SCHEMBL16358870 0.67 ADORA1 (0.62) CNR2GCK
SCHEMBL22436779 0.66 CNR2 (0.35) HTR4CNR2
SCHEMBL16151326 0.66 SMN1; SMN2 (0.46)
SCHEMBL13282103 0.65 TSHR (0.45)
SCHEMBL15219083 0.64 CNR2 (0.48) CNR2CNR1
SCHEMBL16358419 0.64 CNR2 (0.61) CNR2

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-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed