SCHEMBL29360216

SCHEMBL29360216

CCSc1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3Cl)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 1.00

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
SCHEMBL16555115 1.00 CNR2 (1.00) CNR2
SCHEMBL16554506 0.91 CNR2 (1.00) CNR2
SCHEMBL16554438 0.91 CNR2 (1.00) CNR2
SCHEMBL16554946 0.90 CNR2 (1.00) CNR2
SCHEMBL16554703 0.90 CNR2 (0.81) CNR2
SCHEMBL16554523 0.90 CNR2 (1.00) CNR2
SCHEMBL16554712 0.90 CNR2 (1.00) CNR2
SCHEMBL16554854 0.89 CNR2 (1.00) CNR2
SCHEMBL16554799 0.89 CNR2 (0.81) CNR2
SCHEMBL16554635 0.89 CNR2 (1.00) CNR2

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-3943497-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2022-01-26 — — EP disclosed
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