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Sugi Predict / Compounds / SCHEMBL298733

SCHEMBL298733

SCHEMBL298733

Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCN2C(=O)OC(C)(C)C)n1CC1CC1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.67
▸ CNR1 P21554 6/20 0.63

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
SCHEMBL3223540 0.92 CNR2 (0.69) CNR2CNR1
SCHEMBL3223523 0.92 CNR2 (0.69) CNR2CNR1
SCHEMBL282969 0.90 CNR2 (0.73) CNR2
SCHEMBL283546 0.90 CNR2 (0.73) CNR2
SCHEMBL283891 0.87 CNR2 (0.69) CNR2CNR1
SCHEMBL283559 0.87 CNR2 (0.69) CNR2CNR1
SCHEMBL284218 0.83 CNR2 (0.72) CNR2CNR1
SCHEMBL284217 0.83 CNR2 (0.72) CNR2CNR1
SCHEMBL283577 0.83 CNR2 (0.78) CNR2CNR1
SCHEMBL283578 0.83 CNR2 (0.78) 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-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 — — EP disclosed