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Sugi Predict / Compounds / SCHEMBL4013229

SCHEMBL4013229

SCHEMBL4013229

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)no1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.56
▸ CNR1 P21554 13/20 0.56
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL4011949 0.90 CNR2 (0.55) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL1619860 0.87 CNR2 (0.51) CNR2CNR1
SCHEMBL1621875 0.84 NPY5R (0.52) CNR2CNR1
SCHEMBL775524 0.83 CNR2 (0.62) CNR2CNR1
SCHEMBL4012907 0.82 NPY5R (0.46) CNR2CNR1
SCHEMBL4172018 0.81 CNR2 (0.68) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL1618845 0.80 NPY5R (0.53) CNR2CNR1
SCHEMBL774988 0.80 CNR2 (0.62) CNR2CNR1
SCHEMBL4013577 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL1621285 0.79 NPY5R (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 — — EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO claimed