SCHEMBL3658653

SCHEMBL3658653

CCCNS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.CCON(CC)S(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.54
CNR1 P21554 11/20 0.54
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPY5R Q15761 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 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
SCHEMBL3658651 0.87 CNR2 (0.58) CNR2CNR1POLBGAANPY5R
SCHEMBL3783928 0.84 POLB (0.47) CNR2CNR1POLBGAANPY5R
SCHEMBL3661265 0.81 CNR2 (0.52) CNR2CNR1POLBGAAEGFR
SCHEMBL3660664 0.77 CNR1 (0.56) CNR2CNR1POLBGAAEGFR
SCHEMBL3654312 0.75 NPY5R (0.47) CNR2CNR1POLBGAANPY5R
SCHEMBL4172018 0.74 CNR2 (0.68) CNR2CNR1GAANPY5RCYP2C8
SCHEMBL3783922 0.74 POLB (0.47) CNR2CNR1POLBGAANPY5R
SCHEMBL3656884 0.72 NPY5R (0.51) CNR2CNR1POLBGAANPY5R
SCHEMBL3654121 0.72 CNR1 (0.54) CNR2CNR1POLBGAAEGFR
SCHEMBL1464269 0.71 CNR2 (1.00) CNR2CNR1GAACYP2C8CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO claimed