Sugi Predict

Sugi Predict / Compounds / SCHEMBL4017564

SCHEMBL4017564

SCHEMBL4017564

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.74
▸ CNR1 P21554 11/20 0.74

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
SCHEMBL1621602 0.94 CNR2 (0.83) CNR2CNR1
SCHEMBL1621457 0.91 CNR2 (0.85) CNR2CNR1
SCHEMBL4013638 0.89 CNR2 (0.61) CNR2CNR1
SCHEMBL1621382 0.88 CNR2 (0.73) CNR2CNR1
SCHEMBL1621173 0.88 CNR2 (0.72) CNR2CNR1
SCHEMBL1620767 0.86 CNR2 (0.69) CNR2CNR1
SCHEMBL10217739 0.85 CNR2 (0.78) CNR2CNR1
SCHEMBL1691355 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL1621899 0.85 CNR2 (0.74) CNR2CNR1
SCHEMBL1621253 0.85 CNR2 (0.68) 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 disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO disclosed