SCHEMBL20057521

SCHEMBL20057521

CCC(CC)(NC(=O)c1ccc(C2CC2)c([S+]([O-])CC(C)C)n1)C(=O)NC

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.64
▸ CNR1 P21554 5/20 0.54

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
SCHEMBL18098810 0.78 CNR2 (0.40) CNR2CNR1
SCHEMBL14167504 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL20057373 0.75 CNR2 (0.39) CNR2CNR1
SCHEMBL20057359 0.75 CNR2 (0.39) CNR2CNR1
SCHEMBL17771901 0.74 CNR2 (0.67) CNR2CNR1
SCHEMBL14167292 0.73 CNR2 (1.00) CNR2CNR1
SCHEMBL20057318 0.73 CNR2 (0.77) CNR2CNR1
SCHEMBL20057301 0.72 CNR2 (0.35) CNR2CNR1
SCHEMBL14241000 0.71 CNR2 (1.00) CNR2CNR1
SCHEMBL14241046 0.71 CNR2 (1.00) 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-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
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